CID 131750780

Phenylalanyl-gamma-glutamate

Structural Information

Molecular Formula
C14H19N3O4
SMILES
C1=CC=C(C=C1)CC(C(=O)NC(=O)CCC(C(=O)O)N)N
InChI
InChI=1S/C14H19N3O4/c15-10(14(20)21)6-7-12(18)17-13(19)11(16)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15-16H2,(H,20,21)(H,17,18,19)
InChIKey
XWHWNYMBZXDFRP-UHFFFAOYSA-N
Compound name
2-amino-5-[(2-amino-3-phenylpropanoyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.13754 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14482 169.7
[M+Na]+ 316.12676 171.2
[M-H]- 292.13026 170.0
[M+NH4]+ 311.17136 181.9
[M+K]+ 332.10070 170.0
[M+H-H2O]+ 276.13480 161.7
[M+HCOO]- 338.13574 189.3
[M+CH3COO]- 352.15139 207.4
[M+Na-2H]- 314.11221 167.4
[M]+ 293.13699 165.4
[M]- 293.13809 165.4
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