CID 3040089

N-(3-methyl-1-naphthyl)anthranilic acid

Structural Information

Molecular Formula
C18H15NO2
SMILES
CC1=CC2=CC=CC=C2C(=C1)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C18H15NO2/c1-12-10-13-6-2-3-7-14(13)17(11-12)19-16-9-5-4-8-15(16)18(20)21/h2-11,19H,1H3,(H,20,21)
InChIKey
MZWOSZGKXHSHFG-UHFFFAOYSA-N
Compound name
2-[(3-methylnaphthalen-1-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.1103 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 162.5
[M+Na]+ 300.09952 170.1
[M-H]- 276.10302 169.1
[M+NH4]+ 295.14412 178.5
[M+K]+ 316.07346 164.9
[M+H-H2O]+ 260.10756 154.7
[M+HCOO]- 322.10850 184.4
[M+CH3COO]- 336.12415 174.2
[M+Na-2H]- 298.08497 168.3
[M]+ 277.10975 161.9
[M]- 277.11085 161.9
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