CID 73006

N-(2-quinoxaloyl)-l-glutamine

Structural Information

Molecular Formula
C14H14N4O4
SMILES
C1=CC=C2C(=C1)N=CC(=N2)C(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C14H14N4O4/c15-12(19)6-5-10(14(21)22)18-13(20)11-7-16-8-3-1-2-4-9(8)17-11/h1-4,7,10H,5-6H2,(H2,15,19)(H,18,20)(H,21,22)/t10-/m0/s1
InChIKey
BQAFPVLQTAJRFU-JTQLQIEISA-N
Compound name
(2S)-5-amino-5-oxo-2-(quinoxaline-2-carbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1015 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10878 166.1
[M+Na]+ 325.09072 174.2
[M+NH4]+ 320.13532 169.8
[M+K]+ 341.06466 171.8
[M-H]- 301.09422 165.0
[M+Na-2H]- 323.07617 168.8
[M]+ 302.10095 166.2
[M]- 302.10205 166.2
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

No patent data available for this compound.