PubChemLite - Dtxsid601015575 (C23H15N5O7)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C23H15N5O7/c29-21-17(23(31)24-14-7-2-1-3-8-14)10-13-6-4-5-9-16(13)20(21)26-25-18-11-15(27(32)33)12-19(22(18)30)28(34)35/h1-12,29-30H,(H,24,31)

InChIKey

MDDCYCLTBZIANO-UHFFFAOYSA-N

Compound name

3-hydroxy-4-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-N-phenylnaphthalene-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]+	474.10442	201.8
[M+Na]+	496.08636	202.8
[M-H]-	472.08986	211.4
[M+NH4]+	491.13096	205.9
[M+K]+	512.06030	191.9
[M+H-H2O]+	456.09440	198.1
[M+HCOO]-	518.09534	226.2
[M+CH3COO]-	532.11099	231.4
[M+Na-2H]-	494.07181	211.1
[M]+	473.09659	198.6
[M]-	473.09769	198.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.10442

201.8

[M+Na]+

496.08636

202.8

[M-H]-

472.08986

211.4

[M+NH4]+

491.13096

205.9

[M+K]+

512.06030

191.9

[M+H-H2O]+

456.09440

198.1

[M+HCOO]-

518.09534

226.2

[M+CH3COO]-

532.11099

231.4

[M+Na-2H]-

494.07181

211.1

[M]+

473.09659

198.6

[M]-

473.09769

198.6

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

Dtxsid601015575

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe