PubChemLite - 6471-49-4 (C24H17N5O7)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C24H17N5O7/c1-36-21-10-9-17(29(34)35)13-20(21)26-27-22-18-8-3-2-5-14(18)11-19(23(22)30)24(31)25-15-6-4-7-16(12-15)28(32)33/h2-13,30H,1H3,(H,25,31)

InChIKey

SOFRHZUTPGJWAM-UHFFFAOYSA-N

Compound name

3-hydroxy-4-[(2-methoxy-5-nitrophenyl)diazenyl]-N-(3-nitrophenyl)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]+	488.12008	208.2
[M+Na]+	510.10202	209.1
[M-H]-	486.10552	218.8
[M+NH4]+	505.14662	212.3
[M+K]+	526.07596	198.7
[M+H-H2O]+	470.11006	203.9
[M+HCOO]-	532.11100	233.5
[M+CH3COO]-	546.12665	236.5
[M+Na-2H]-	508.08747	217.1
[M]+	487.11225	206.8
[M]-	487.11335	206.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

488.12008

208.2

[M+Na]+

510.10202

209.1

[M-H]-

486.10552

218.8

[M+NH4]+

505.14662

212.3

[M+K]+

526.07596

198.7

[M+H-H2O]+

470.11006

203.9

[M+HCOO]-

532.11100

233.5

[M+CH3COO]-

546.12665

236.5

[M+Na-2H]-

508.08747

217.1

[M]+

487.11225

206.8

[M]-

487.11335

206.8

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

6471-49-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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