PubChemLite - Nsc649554 (C24H27N3O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C=C1)NC(=O)/C(=N\NC(C)(C)C)/CC2=CC(=O)OC3=C2C=CC(=C3)O)C

InChI

InChI=1S/C24H27N3O4/c1-14-6-7-17(10-15(14)2)25-23(30)20(26-27-24(3,4)5)11-16-12-22(29)31-21-13-18(28)8-9-19(16)21/h6-10,12-13,27-28H,11H2,1-5H3,(H,25,30)/b26-20-

InChIKey

JALQXZMZIVLIJV-QOMWVZHYSA-N

Compound name

(2Z)-2-(tert-butylhydrazinylidene)-N-(3,4-dimethylphenyl)-3-(7-hydroxy-2-oxochromen-4-yl)propanamide

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]+	422.20744	205.1
[M+Na]+	444.18938	210.9
[M-H]-	420.19288	213.6
[M+NH4]+	439.23398	214.2
[M+K]+	460.16332	208.4
[M+H-H2O]+	404.19742	195.7
[M+HCOO]-	466.19836	225.4
[M+CH3COO]-	480.21401	238.0
[M+Na-2H]-	442.17483	208.3
[M]+	421.19961	208.5
[M]-	421.20071	208.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

422.20744

205.1

[M+Na]+

444.18938

210.9

[M-H]-

420.19288

213.6

[M+NH4]+

439.23398

214.2

[M+K]+

460.16332

208.4

[M+H-H2O]+

404.19742

195.7

[M+HCOO]-

466.19836

225.4

[M+CH3COO]-

480.21401

238.0

[M+Na-2H]-

442.17483

208.3

[M]+

421.19961

208.5

[M]-

421.20071

208.5

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

Nsc649554

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe