CID 92258

Phenylacetylglutamine

Structural Information

Molecular Formula
C13H16N2O4
SMILES
C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1
InChIKey
JFLIEFSWGNOPJJ-JTQLQIEISA-N
Compound name
(2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

121
References

1632
Patents

264.111 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11828 161.0
[M+Na]+ 287.10022 167.4
[M+NH4]+ 282.14482 165.2
[M+K]+ 303.07416 164.9
[M-H]- 263.10372 160.2
[M+Na-2H]- 285.08567 163.2
[M]+ 264.11045 160.9
[M]- 264.11155 160.9
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