CID 16740478

116702-65-9

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CC1=CC=C(C=C1)NC2=C(C=CC=C2N)C(=O)O
InChI
InChI=1S/C14H14N2O2/c1-9-5-7-10(8-6-9)16-13-11(14(17)18)3-2-4-12(13)15/h2-8,16H,15H2,1H3,(H,17,18)
InChIKey
GTTBSDNXVFGONG-UHFFFAOYSA-N
Compound name
3-amino-2-(4-methylanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.10553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 155.3
[M+Na]+ 265.09475 167.7
[M+NH4]+ 260.13935 162.8
[M+K]+ 281.06869 161.6
[M-H]- 241.09825 159.9
[M+Na-2H]- 263.08020 163.2
[M]+ 242.10498 158.2
[M]- 242.10608 158.2
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

No patent data available for this compound.