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 165.8
[M+Na]+ 306.11007 170.6
[M-H]- 282.11357 172.1
[M+NH4]+ 301.15467 180.5
[M+K]+ 322.08401 168.2
[M+H-H2O]+ 266.11811 157.6
[M+HCOO]- 328.11905 188.2
[M+CH3COO]- 342.13470 203.5
[M+Na-2H]- 304.09552 168.2
[M]+ 283.12030 166.5
[M]- 283.12140 166.5
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.