PubChemLite - 8-bromo-4-(2-chlorophenyl)-n-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide (C20H15BrClN3O4)

Structural Information

Molecular Formula

SMILES

CN1C2=C(C3=C(C(=C2)C4=CC=CC=C4Cl)C(=O)NC3=O)C(=C1C(=O)NCCO)Br

InChI

InChI=1S/C20H15BrClN3O4/c1-25-12-8-10(9-4-2-3-5-11(9)22)13-15(19(28)24-18(13)27)14(12)16(21)17(25)20(29)23-6-7-26/h2-5,8,26H,6-7H2,1H3,(H,23,29)(H,24,27,28)

InChIKey

XUAHLMVOYLUYSB-UHFFFAOYSA-N

Compound name

8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxopyrrolo[3,4-e]indole-7-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	476.00072	202.4
[M+Na]+	497.98266	216.4
[M-H]-	473.98616	210.1
[M+NH4]+	493.02726	217.2
[M+K]+	513.95660	201.8
[M+H-H2O]+	457.99070	201.9
[M+HCOO]-	519.99164	214.4
[M+CH3COO]-	534.00729	213.7
[M+Na-2H]-	495.96811	201.5
[M]+	474.99289	225.5
[M]-	474.99399	225.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.00072

202.4

[M+Na]+

497.98266

216.4

[M-H]-

473.98616

210.1

[M+NH4]+

493.02726

217.2

[M+K]+

513.95660

201.8

[M+H-H2O]+

457.99070

201.9

[M+HCOO]-

519.99164

214.4

[M+CH3COO]-

534.00729

213.7

[M+Na-2H]-

495.96811

201.5

[M]+

474.99289

225.5

[M]-

474.99399

225.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

8-bromo-4-(2-chlorophenyl)-n-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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