PubChemLite - Einecs 253-796-9 (C24H16N6O5)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=CC=C3[N+](=O)[O-])O)C(=O)NC4=CC5=C(C=C4)NC(=O)N5

InChI

InChI=1S/C24H16N6O5/c31-22-16(23(32)25-14-9-10-17-19(12-14)27-24(33)26-17)11-13-5-1-2-6-15(13)21(22)29-28-18-7-3-4-8-20(18)30(34)35/h1-12,31H,(H,25,32)(H2,26,27,33)

InChIKey

RSJRBKUJZGGVMR-UHFFFAOYSA-N

Compound name

3-hydroxy-4-[(2-nitrophenyl)diazenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide

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]+	469.12551	199.1
[M+Na]+	491.10745	204.1
[M-H]-	467.11095	207.9
[M+NH4]+	486.15205	204.6
[M+K]+	507.08139	194.1
[M+H-H2O]+	451.11549	191.9
[M+HCOO]-	513.11643	221.7
[M+CH3COO]-	527.13208	233.7
[M+Na-2H]-	489.09290	208.6
[M]+	468.11768	197.8
[M]-	468.11878	197.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.12551

199.1

[M+Na]+

491.10745

204.1

[M-H]-

467.11095

207.9

[M+NH4]+

486.15205

204.6

[M+K]+

507.08139

194.1

[M+H-H2O]+

451.11549

191.9

[M+HCOO]-

513.11643

221.7

[M+CH3COO]-

527.13208

233.7

[M+Na-2H]-

489.09290

208.6

[M]+

468.11768

197.8

[M]-

468.11878

197.8

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

Einecs 253-796-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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