CID 10540941

2-[methyl(3-phenylpropanoyl)amino]benzoic acid

Structural Information

Molecular Formula
C17H17NO3
SMILES
CN(C1=CC=CC=C1C(=O)O)C(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C17H17NO3/c1-18(15-10-6-5-9-14(15)17(20)21)16(19)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21)
InChIKey
APLMLPAZZRMWPT-UHFFFAOYSA-N
Compound name
2-[methyl(3-phenylpropanoyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 166.1
[M+Na]+ 306.11007 178.1
[M+NH4]+ 301.15467 173.1
[M+K]+ 322.08401 172.1
[M-H]- 282.11357 169.8
[M+Na-2H]- 304.09552 173.9
[M]+ 283.12030 168.7
[M]- 283.12140 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.