CID 217671

N-(2-chloro-1-naphthyl)anthranilic acid

Structural Information

Molecular Formula
C17H12ClNO2
SMILES
C1=CC=C2C(=C1)C=CC(=C2NC3=CC=CC=C3C(=O)O)Cl
InChI
InChI=1S/C17H12ClNO2/c18-14-10-9-11-5-1-2-6-12(11)16(14)19-15-8-4-3-7-13(15)17(20)21/h1-10,19H,(H,20,21)
InChIKey
MDWVGEUJJIHJEP-UHFFFAOYSA-N
Compound name
2-[(2-chloronaphthalen-1-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.05566 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06294 164.5
[M+Na]+ 320.04488 173.3
[M-H]- 296.04838 171.0
[M+NH4]+ 315.08948 180.6
[M+K]+ 336.01882 166.7
[M+H-H2O]+ 280.05292 157.6
[M+HCOO]- 342.05386 182.2
[M+CH3COO]- 356.06951 176.2
[M+Na-2H]- 318.03033 170.3
[M]+ 297.05511 166.0
[M]- 297.05621 166.0
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