CID 16740478

3-amino-2-(4-methylphenylamino)benzoic acid

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 154.0
[M+Na]+ 265.09475 161.2
[M-H]- 241.09825 159.6
[M+NH4]+ 260.13935 170.0
[M+K]+ 281.06869 157.1
[M+H-H2O]+ 225.10279 146.6
[M+HCOO]- 287.10373 177.9
[M+CH3COO]- 301.11938 196.7
[M+Na-2H]- 263.08020 157.9
[M]+ 242.10498 151.6
[M]- 242.10608 151.6
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.