PubChemLite - Nsc649816 (C30H31N5O4)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)NC(=O)/C(=N\NC(C)(C)C)/CC2C(N=C3C=CC4=C(C5=CC=CC=C5C(=C4C3=N2)O)O)O

InChI

InChI=1S/C30H31N5O4/c1-16-9-11-17(12-10-16)31-29(39)23(34-35-30(2,3)4)15-22-28(38)33-21-14-13-20-24(25(21)32-22)27(37)19-8-6-5-7-18(19)26(20)36/h5-14,22,28,35-38H,15H2,1-4H3,(H,31,39)/b34-23-

InChIKey

DZBVZBDQTBGYJF-XSVYLIDLSA-N

Compound name

(2Z)-2-(tert-butylhydrazinylidene)-N-(4-methylphenyl)-3-(3,7,12-trihydroxy-2,3-dihydronaphtho[2,3-h]quinoxalin-2-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]+	526.24488	228.3
[M+Na]+	548.22682	234.0
[M-H]-	524.23032	232.7
[M+NH4]+	543.27142	231.9
[M+K]+	564.20076	228.5
[M+H-H2O]+	508.23486	216.9
[M+HCOO]-	570.23580	241.4
[M+CH3COO]-	584.25145	255.4
[M+Na-2H]-	546.21227	234.2
[M]+	525.23705	230.6
[M]-	525.23815	230.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

526.24488

228.3

[M+Na]+

548.22682

234.0

[M-H]-

524.23032

232.7

[M+NH4]+

543.27142

231.9

[M+K]+

564.20076

228.5

[M+H-H2O]+

508.23486

216.9

[M+HCOO]-

570.23580

241.4

[M+CH3COO]-

584.25145

255.4

[M+Na-2H]-

546.21227

234.2

[M]+

525.23705

230.6

[M]-

525.23815

230.6

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

Nsc649816

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe