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]+ 284.128126 165.3
[M+Na]+ 306.110068 171.9
[M-H]- 282.113574 171.0
[M+NH4]+ 301.154673 180.1
[M+K]+ 322.084008 168.2
[M+H-H2O]+ 266.118110 157.7
[M+HCOO]- 328.119051 187.2
[M+CH3COO]- 342.134701 202.7
[M+Na-2H]- 304.095516 167.1
[M]+ 283.12030142 165.6
[M]- 283.12139858 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.