CID 295110

2',4'-dimethylphthalanilic acid

Structural Information

Molecular Formula
C16H15NO3
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O)C
InChI
InChI=1S/C16H15NO3/c1-10-7-8-14(11(2)9-10)17-15(18)12-5-3-4-6-13(12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKey
OGDYXGYGOUDAHW-UHFFFAOYSA-N
Compound name
2-[(2,4-dimethylphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

269.1052 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 160.7
[M+Na]+ 292.09442 167.7
[M-H]- 268.09792 166.6
[M+NH4]+ 287.13902 176.1
[M+K]+ 308.06836 164.2
[M+H-H2O]+ 252.10246 153.3
[M+HCOO]- 314.10340 182.9
[M+CH3COO]- 328.11905 199.7
[M+Na-2H]- 290.07987 163.0
[M]+ 269.10465 160.6
[M]- 269.10575 160.6
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

patents stripe