CID 81023

Einecs 229-442-4

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
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

No literature data available for this compound.

Patent stripe

patents stripe