CID 89087

2-naphthalenecarboxamide, 4-[(3-chlorophenyl)azo]-3-hydroxy-n-(2-methoxyphenyl)-

Structural Information

Molecular Formula
C24H18ClN3O3
SMILES
COC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC(=CC=C4)Cl
InChI
InChI=1S/C24H18ClN3O3/c1-31-21-12-5-4-11-20(21)26-24(30)19-13-15-7-2-3-10-18(15)22(23(19)29)28-27-17-9-6-8-16(25)14-17/h2-14,29H,1H3,(H,26,30)
InChIKey
KJDVTHBTAGHDAM-UHFFFAOYSA-N
Compound name
4-[(3-chlorophenyl)diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18
Patents

431.10367 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.11095 202.1
[M+Na]+ 454.09289 209.9
[M-H]- 430.09639 213.9
[M+NH4]+ 449.13749 213.0
[M+K]+ 470.06683 203.9
[M+H-H2O]+ 414.10093 191.5
[M+HCOO]- 476.10187 223.6
[M+CH3COO]- 490.11752 212.0
[M+Na-2H]- 452.07834 207.0
[M]+ 431.10312 207.0
[M]- 431.10422 207.0
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