PubChemLite - 73384-73-3 (C23H24BrN5O6)

Structural Information

Molecular Formula

SMILES

CCCCOCC(CNC1=CC=C(C2=CC=CC=C21)N=NC3=C(C=C(C=C3Br)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C23H24BrN5O6/c1-2-3-10-35-14-16(30)13-25-20-8-9-21(18-7-5-4-6-17(18)20)26-27-23-19(24)11-15(28(31)32)12-22(23)29(33)34/h4-9,11-12,16,25,30H,2-3,10,13-14H2,1H3

InChIKey

MUTUMPWEUGWUMV-UHFFFAOYSA-N

Compound name

1-[[4-[(2-bromo-4,6-dinitrophenyl)diazenyl]naphthalen-1-yl]amino]-3-butoxypropan-2-ol

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]+	546.09828	219.0
[M+Na]+	568.08022	221.0
[M-H]-	544.08372	227.5
[M+NH4]+	563.12482	225.3
[M+K]+	584.05416	202.6
[M+H-H2O]+	528.08826	219.5
[M+HCOO]-	590.08920	240.4
[M+CH3COO]-	604.10485	241.3
[M+Na-2H]-	566.06567	225.8
[M]+	545.09045	237.2
[M]-	545.09155	237.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

546.09828

219.0

[M+Na]+

568.08022

221.0

[M-H]-

544.08372

227.5

[M+NH4]+

563.12482

225.3

[M+K]+

584.05416

202.6

[M+H-H2O]+

528.08826

219.5

[M+HCOO]-

590.08920

240.4

[M+CH3COO]-

604.10485

241.3

[M+Na-2H]-

566.06567

225.8

[M]+

545.09045

237.2

[M]-

545.09155

237.2

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

73384-73-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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