CID 89072

21839-86-1

Structural Information

Molecular Formula
C25H20ClN3O2
SMILES
CC1=CC=CC=C1N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)Cl)C)O
InChI
InChI=1S/C25H20ClN3O2/c1-15-7-3-6-10-22(15)28-29-23-19-9-5-4-8-17(19)14-20(24(23)30)25(31)27-21-12-11-18(26)13-16(21)2/h3-14,30H,1-2H3,(H,27,31)
InChIKey
OXODWVRIYDVVMU-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-3-hydroxy-4-[(2-methylphenyl)diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.1244 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.13168 205.1
[M+Na]+ 452.11362 213.6
[M-H]- 428.11712 217.1
[M+NH4]+ 447.15822 216.5
[M+K]+ 468.08756 206.8
[M+H-H2O]+ 412.12166 194.8
[M+HCOO]- 474.12260 226.1
[M+CH3COO]- 488.13825 215.1
[M+Na-2H]- 450.09907 208.5
[M]+ 429.12385 209.4
[M]- 429.12495 209.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.