CID 4936088

2-[(2-ethyl-6-methylphenyl)carbamoyl]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 166.5
[M+Na]+ 306.11007 179.1
[M+NH4]+ 301.15467 173.3
[M+K]+ 322.08401 173.0
[M-H]- 282.11357 170.0
[M+Na-2H]- 304.09552 173.6
[M]+ 283.12030 169.1
[M]- 283.12140 169.1
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.