CID 295107

N-(3,4-xylyl)phthalamic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

269.1052 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.112476 160.7
[M+Na]+ 292.094418 167.7
[M-H]- 268.097924 166.6
[M+NH4]+ 287.139023 176.1
[M+K]+ 308.068358 164.2
[M+H-H2O]+ 252.102460 153.3
[M+HCOO]- 314.103401 182.9
[M+CH3COO]- 328.119051 199.7
[M+Na-2H]- 290.079866 163.0
[M]+ 269.10465142 160.6
[M]- 269.10574858 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

literature stripe

Patent stripe

patents stripe