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 166.3
[M+Na]+ 325.09072 170.9
[M-H]- 301.09422 166.0
[M+NH4]+ 320.13532 177.2
[M+K]+ 341.06466 168.5
[M+H-H2O]+ 285.09876 157.6
[M+HCOO]- 347.09970 183.8
[M+CH3COO]- 361.11535 206.6
[M+Na-2H]- 323.07617 169.7
[M]+ 302.10095 164.9
[M]- 302.10205 164.9
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.