CID 87192

2-naphthalenecarboxamide, 3-hydroxy-4-((2-chloro-5-trifluoromethylphenyl)azo)-n-(2-methylphenyl)-

Structural Information

Molecular Formula
C25H17ClF3N3O2
SMILES
CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)C(F)(F)F)Cl
InChI
InChI=1S/C25H17ClF3N3O2/c1-14-6-2-5-9-20(14)30-24(34)18-12-15-7-3-4-8-17(15)22(23(18)33)32-31-21-13-16(25(27,28)29)10-11-19(21)26/h2-13,33H,1H3,(H,30,34)
InChIKey
LYISXYZABJEPNA-UHFFFAOYSA-N
Compound name
4-[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.09613 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.10341 214.6
[M+Na]+ 506.08535 223.8
[M-H]- 482.08885 222.7
[M+NH4]+ 501.12995 223.7
[M+K]+ 522.05929 216.1
[M+H-H2O]+ 466.09339 201.8
[M+HCOO]- 528.09433 230.8
[M+CH3COO]- 542.10998 246.3
[M+Na-2H]- 504.07080 217.2
[M]+ 483.09558 215.5
[M]- 483.09668 215.5
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.