CID 22919

2-naphthalenecarboxamide, n-(4-chlorophenyl)-3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-

Structural Information

Molecular Formula
C24H17ClN4O4
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C24H17ClN4O4/c1-14-6-11-18(29(32)33)13-21(14)27-28-22-19-5-3-2-4-15(19)12-20(23(22)30)24(31)26-17-9-7-16(25)8-10-17/h2-13,30H,1H3,(H,26,31)
InChIKey
ITHKKUPWEBSLAJ-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-3-hydroxy-4-[(2-methyl-5-nitrophenyl)diazenyl]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 208.3
[M+Na]+ 483.08306 213.8
[M-H]- 459.08656 219.7
[M+NH4]+ 478.12766 216.6
[M+K]+ 499.05700 204.4
[M+H-H2O]+ 443.09110 202.0
[M+HCOO]- 505.09204 230.0
[M+CH3COO]- 519.10769 237.0
[M+Na-2H]- 481.06851 214.0
[M]+ 460.09329 210.8
[M]- 460.09439 210.8
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