CID 3040090

51671-13-7

Structural Information

Molecular Formula
C19H17NO2
SMILES
CC1=C(C2=CC=CC=C2C(=C1)NC3=CC=CC=C3C(=O)O)C
InChI
InChI=1S/C19H17NO2/c1-12-11-18(15-8-4-3-7-14(15)13(12)2)20-17-10-6-5-9-16(17)19(21)22/h3-11,20H,1-2H3,(H,21,22)
InChIKey
GFWZXWWXHSUVAT-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethylnaphthalen-1-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

291.12592 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13320 168.4
[M+Na]+ 314.11514 183.8
[M+NH4]+ 309.15974 177.2
[M+K]+ 330.08908 175.5
[M-H]- 290.11864 174.2
[M+Na-2H]- 312.10059 177.2
[M]+ 291.12537 172.4
[M]- 291.12647 172.4
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