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 167.3
[M+Na]+ 314.11514 175.3
[M-H]- 290.11864 174.1
[M+NH4]+ 309.15974 183.0
[M+K]+ 330.08908 170.0
[M+H-H2O]+ 274.12318 159.5
[M+HCOO]- 336.12412 188.8
[M+CH3COO]- 350.13977 206.1
[M+Na-2H]- 312.10059 171.8
[M]+ 291.12537 167.4
[M]- 291.12647 167.4
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