CID 3055478

Hydrocinnamic acid, 2-(n-methylbenzamido)-

Structural Information

Molecular Formula

C₁₇H₁₇NO₃

SMILES

CN(C1=CC=CC=C1CCC(=O)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H17NO3/c1-18(17(21)14-8-3-2-4-9-14)15-10-6-5-7-13(15)11-12-16(19)20/h2-10H,11-12H2,1H3,(H,19,20)

InChIKey

NJHZRMXLUVDSEK-UHFFFAOYSA-N

Compound name

3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 283.12085 Da
Monoisotopic Mass: 2.7
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]+	284.128126	165.8
[M+Na]+	306.110068	170.6
[M-H]-	282.113574	172.1
[M+NH4]+	301.154673	180.5
[M+K]+	322.084008	168.2
[M+H-H2O]+	266.118110	157.6
[M+HCOO]-	328.119051	188.2
[M+CH3COO]-	342.134701	203.5
[M+Na-2H]-	304.095516	168.2
[M]+	283.12030142	166.5
[M]-	283.12139858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe