PubChemLite - 134106-66-4 (C26H26ClN3O7)

Structural Information

Molecular Formula

SMILES

CC1=C(C2=C3C(CN(C3=CC(=C2N1)O)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CCl)C(=O)OC

InChI

InChI=1S/C26H26ClN3O7/c1-11-18(26(33)37-5)20-19-13(9-27)10-30(15(19)8-16(31)22(20)28-11)25(32)14-6-12-7-17(34-2)23(35-3)24(36-4)21(12)29-14/h6-8,13,28-29,31H,9-10H2,1-5H3

InChIKey

UWIQHBUMIDNNGD-UHFFFAOYSA-N

Compound name

methyl 8-(chloromethyl)-4-hydroxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate

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]+	528.15322	224.1
[M+Na]+	550.13516	234.8
[M-H]-	526.13866	229.5
[M+NH4]+	545.17976	234.1
[M+K]+	566.10910	230.0
[M+H-H2O]+	510.14320	218.8
[M+HCOO]-	572.14414	233.4
[M+CH3COO]-	586.15979	241.7
[M+Na-2H]-	548.12061	217.4
[M]+	527.14539	236.8
[M]-	527.14649	236.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

528.15322

224.1

[M+Na]+

550.13516

234.8

[M-H]-

526.13866

229.5

[M+NH4]+

545.17976

234.1

[M+K]+

566.10910

230.0

[M+H-H2O]+

510.14320

218.8

[M+HCOO]-

572.14414

233.4

[M+CH3COO]-

586.15979

241.7

[M+Na-2H]-

548.12061

217.4

[M]+

527.14539

236.8

[M]-

527.14649

236.8

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

134106-66-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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