PubChemLite - 433317-78-3 (C23H25BrN2O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=CC=C3)Br)O

InChI

InChI=1S/C23H25BrN2O4/c1-14-12-17(30-4)8-9-18(14)21(27)19-20(15-6-5-7-16(24)13-15)26(11-10-25(2)3)23(29)22(19)28/h5-9,12-13,20,27H,10-11H2,1-4H3

InChIKey

SPRSRXVQGPXZLF-UHFFFAOYSA-N

Compound name

5-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]pyrrolidine-2,3-dione

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]+	473.10704	205.1
[M+Na]+	495.08898	214.2
[M-H]-	471.09248	216.0
[M+NH4]+	490.13358	217.4
[M+K]+	511.06292	202.3
[M+H-H2O]+	455.09702	202.0
[M+HCOO]-	517.09796	222.0
[M+CH3COO]-	531.11361	235.3
[M+Na-2H]-	493.07443	201.0
[M]+	472.09921	225.7
[M]-	472.10031	225.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.10704

205.1

[M+Na]+

495.08898

214.2

[M-H]-

471.09248

216.0

[M+NH4]+

490.13358

217.4

[M+K]+

511.06292

202.3

[M+H-H2O]+

455.09702

202.0

[M+HCOO]-

517.09796

222.0

[M+CH3COO]-

531.11361

235.3

[M+Na-2H]-

493.07443

201.0

[M]+

472.09921

225.7

[M]-

472.10031

225.7

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

433317-78-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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