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]+ 284.128126 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
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.