CID 80958

6471-50-7

Structural Information

Molecular Formula
C24H17ClN4O4
SMILES
CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]
InChI
InChI=1S/C24H17ClN4O4/c1-14-6-2-5-9-19(14)26-24(31)18-12-15-7-3-4-8-17(15)22(23(18)30)28-27-20-11-10-16(25)13-21(20)29(32)33/h2-13,30H,1H3,(H,26,31)
InChIKey
WXHYPQWKGYEJKW-UHFFFAOYSA-N
Compound name
4-[(4-chloro-2-nitrophenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

460.09384 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.10112 207.8
[M+Na]+ 483.08306 224.2
[M+NH4]+ 478.12766 215.1
[M+K]+ 499.05700 217.2
[M-H]- 459.08656 217.8
[M+Na-2H]- 481.06851 217.7
[M]+ 460.09329 213.2
[M]- 460.09439 213.2
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