CID 18218184

Nf dipeptide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

279.12192 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12920 164.7
[M+Na]+ 302.11114 169.1
[M+NH4]+ 297.15574 168.0
[M+K]+ 318.08508 168.2
[M-H]- 278.11464 163.7
[M+Na-2H]- 300.09659 165.8
[M]+ 279.12137 164.1
[M]- 279.12247 164.1
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

patents stripe