CID 202442

236 dl

Structural Information

Molecular Formula
C19H20N2O4
SMILES
C1=CC=C(C=C1)CNC(=O)C(CCC(=O)O)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H20N2O4/c22-17(23)12-11-16(21-18(24)15-9-5-2-6-10-15)19(25)20-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,25)(H,21,24)(H,22,23)
InChIKey
QIPFYDLWALTZMT-UHFFFAOYSA-N
Compound name
4-benzamido-5-(benzylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 181.4
[M+Na]+ 363.13152 189.9
[M+NH4]+ 358.17612 186.1
[M+K]+ 379.10546 185.3
[M-H]- 339.13502 183.6
[M+Na-2H]- 361.11697 186.9
[M]+ 340.14175 182.7
[M]- 340.14285 182.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.