CID 89088

Einecs 244-636-9

Structural Information

Molecular Formula
C25H20ClN3O3
SMILES
CC1=C(C=C(C=C1)Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4OC)O
InChI
InChI=1S/C25H20ClN3O3/c1-15-11-12-17(26)14-21(15)28-29-23-18-8-4-3-7-16(18)13-19(24(23)30)25(31)27-20-9-5-6-10-22(20)32-2/h3-14,30H,1-2H3,(H,27,31)
InChIKey
VLENPWQNQFIXCX-UHFFFAOYSA-N
Compound name
4-[(5-chloro-2-methylphenyl)diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

445.11932 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.12660 207.6
[M+Na]+ 468.10854 215.8
[M-H]- 444.11204 219.6
[M+NH4]+ 463.15314 218.2
[M+K]+ 484.08248 209.8
[M+H-H2O]+ 428.11658 197.0
[M+HCOO]- 490.11752 228.7
[M+CH3COO]- 504.13317 241.1
[M+Na-2H]- 466.09399 211.2
[M]+ 445.11877 213.3
[M]- 445.11987 213.3
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.