CID 109537

Einecs 268-685-0

Structural Information

Molecular Formula
C25H20ClN3O2
SMILES
CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=C(C=C4)Cl)C
InChI
InChI=1S/C25H20ClN3O2/c1-15-7-3-6-10-21(15)27-25(31)20-14-17-8-4-5-9-19(17)23(24(20)30)29-28-22-12-11-18(26)13-16(22)2/h3-14,30H,1-2H3,(H,27,31)
InChIKey
XCVUQESRBODIHT-UHFFFAOYSA-N
Compound name
4-[(4-chloro-2-methylphenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)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 205.7
[M+Na]+ 452.11362 222.8
[M+NH4]+ 447.15822 214.1
[M+K]+ 468.08756 211.9
[M-H]- 428.11712 215.4
[M+Na-2H]- 450.09907 216.5
[M]+ 429.12385 211.4
[M]- 429.12495 211.4
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.