CID 4936088

2-((2-ethyl-6-methylanilino)carbonyl)benzoic acid

Structural Information

Molecular Formula
C17H17NO3
SMILES
CCC1=CC=CC(=C1NC(=O)C2=CC=CC=C2C(=O)O)C
InChI
InChI=1S/C17H17NO3/c1-3-12-8-6-7-11(2)15(12)18-16(19)13-9-4-5-10-14(13)17(20)21/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKey
HOLOWUHANUEGLO-UHFFFAOYSA-N
Compound name
2-[(2-ethyl-6-methylphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 165.3
[M+Na]+ 306.11007 171.9
[M-H]- 282.11357 171.0
[M+NH4]+ 301.15467 180.1
[M+K]+ 322.08401 168.2
[M+H-H2O]+ 266.11811 157.7
[M+HCOO]- 328.11905 187.2
[M+CH3COO]- 342.13470 202.7
[M+Na-2H]- 304.09552 167.1
[M]+ 283.12030 165.6
[M]- 283.12140 165.6
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.