PubChemLite - Nsc76527 (C26H24N6O4)

Structural Information

Molecular Formula

SMILES

C1CN=C(N1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)C5=NCCN5)O)O

InChI

InChI=1S/C26H24N6O4/c33-21-13-17(5-7-19(21)23-27-9-10-28-23)31-25(35)15-1-2-16(4-3-15)26(36)32-18-6-8-20(22(34)14-18)24-29-11-12-30-24/h1-8,13-14,33-34H,9-12H2,(H,27,28)(H,29,30)(H,31,35)(H,32,36)

InChIKey

PSFVURWAMKWKIO-UHFFFAOYSA-N

Compound name

1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxyphenyl]benzene-1,4-dicarboxamide

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]+	485.19318	205.4
[M+Na]+	507.17512	207.6
[M-H]-	483.17862	212.5
[M+NH4]+	502.21972	206.4
[M+K]+	523.14906	200.5
[M+H-H2O]+	467.18316	194.1
[M+HCOO]-	529.18410	218.2
[M+CH3COO]-	543.19975	210.3
[M+Na-2H]-	505.16057	202.6
[M]+	484.18535	198.7
[M]-	484.18645	198.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.19318

205.4

[M+Na]+

507.17512

207.6

[M-H]-

483.17862

212.5

[M+NH4]+

502.21972

206.4

[M+K]+

523.14906

200.5

[M+H-H2O]+

467.18316

194.1

[M+HCOO]-

529.18410

218.2

[M+CH3COO]-

543.19975

210.3

[M+Na-2H]-

505.16057

202.6

[M]+

484.18535

198.7

[M]-

484.18645

198.7

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

Nsc76527

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe