PubChemLite - Nsc641422 (C24H27N3O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)N/N=C(/CC1=CC(=O)OC2=C1C=CC(=C2)O)\C(=O)NC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C24H27N3O6/c1-24(2,3)27-26-19(23(30)25-18-9-7-16(31-4)13-21(18)32-5)10-14-11-22(29)33-20-12-15(28)6-8-17(14)20/h6-9,11-13,27-28H,10H2,1-5H3,(H,25,30)/b26-19-

InChIKey

CIGRQOQEUYOPIT-XHPQRKPJSA-N

Compound name

(2Z)-2-(tert-butylhydrazinylidene)-N-(2,4-dimethoxyphenyl)-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]+	454.19725	209.9
[M+Na]+	476.17919	214.9
[M-H]-	452.18269	218.2
[M+NH4]+	471.22379	217.3
[M+K]+	492.15313	214.3
[M+H-H2O]+	436.18723	199.9
[M+HCOO]-	498.18817	230.4
[M+CH3COO]-	512.20382	242.7
[M+Na-2H]-	474.16464	213.7
[M]+	453.18942	216.0
[M]-	453.19052	216.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.19725

209.9

[M+Na]+

476.17919

214.9

[M-H]-

452.18269

218.2

[M+NH4]+

471.22379

217.3

[M+K]+

492.15313

214.3

[M+H-H2O]+

436.18723

199.9

[M+HCOO]-

498.18817

230.4

[M+CH3COO]-

512.20382

242.7

[M+Na-2H]-

474.16464

213.7

[M]+

453.18942

216.0

[M]-

453.19052

216.0

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

Nsc641422

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe