CID 294564

N-(n-glycylglycyl)-3-phenyl-dl-alanine

Structural Information

Molecular Formula
C13H17N3O4
SMILES
C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CNC(=O)CN
InChI
InChI=1S/C13H17N3O4/c14-7-11(17)15-8-12(18)16-10(13(19)20)6-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,15,17)(H,16,18)(H,19,20)
InChIKey
KAJAOGBVWCYGHZ-UHFFFAOYSA-N
Compound name
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

279.12192 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12920 164.9
[M+Na]+ 302.11114 170.0
[M+NH4]+ 297.15574 168.5
[M+K]+ 318.08508 167.9
[M-H]- 278.11464 164.3
[M+Na-2H]- 300.09659 166.8
[M]+ 279.12137 164.5
[M]- 279.12247 164.5
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