CID 80959

6471-51-8

Structural Information

Molecular Formula
C25H19Cl2N3O2
SMILES
CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=C(C=C4)Cl)C
InChI
InChI=1S/C25H19Cl2N3O2/c1-14-11-17(26)7-9-21(14)28-25(32)20-13-16-5-3-4-6-19(16)23(24(20)31)30-29-22-10-8-18(27)12-15(22)2/h3-13,31H,1-2H3,(H,28,32)
InChIKey
KWORKYDIARWARF-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-4-[(4-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1429
Patents

463.08542 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.09270 212.4
[M+Na]+ 486.07464 222.2
[M-H]- 462.07814 223.8
[M+NH4]+ 481.11924 223.3
[M+K]+ 502.04858 214.6
[M+H-H2O]+ 446.08268 202.9
[M+HCOO]- 508.08362 228.3
[M+CH3COO]- 522.09927 221.8
[M+Na-2H]- 484.06009 214.2
[M]+ 463.08487 218.9
[M]- 463.08597 218.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe