CID 201644

282 dl

Structural Information

Molecular Formula
C20H22N2O4
SMILES
C1=CC=C(C=C1)CC(=O)NC(CCC(=O)O)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C20H22N2O4/c23-18(13-15-7-3-1-4-8-15)22-17(11-12-19(24)25)20(26)21-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,26)(H,22,23)(H,24,25)
InChIKey
SLIIDFWZYJZQPA-UHFFFAOYSA-N
Compound name
5-(benzylamino)-5-oxo-4-[(2-phenylacetyl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.15796 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 185.1
[M+Na]+ 377.14718 186.1
[M-H]- 353.15068 189.0
[M+NH4]+ 372.19178 195.2
[M+K]+ 393.12112 183.0
[M+H-H2O]+ 337.15522 175.8
[M+HCOO]- 399.15616 205.3
[M+CH3COO]- 413.17181 215.7
[M+Na-2H]- 375.13263 185.6
[M]+ 354.15741 183.8
[M]- 354.15851 183.8
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

patents stripe