CID 295108

2-((4-ethylphenyl)carbamoyl)benzoic acid

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H15NO3/c1-2-11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)16(19)20/h3-10H,2H2,1H3,(H,17,18)(H,19,20)

InChIKey

HLLZBPDMTSWBDX-UHFFFAOYSA-N

Compound name

2-[(4-ethylphenyl)carbamoyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 269.1052 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.11248	162.2
[M+Na]+	292.09442	174.7
[M+NH4]+	287.13902	169.2
[M+K]+	308.06836	168.5
[M-H]-	268.09792	165.7
[M+Na-2H]-	290.07987	169.7
[M]+	269.10465	164.8
[M]-	269.10575	164.8

Literature stripe

literature stripe

Patent stripe

patents stripe