CID 73006

Glutamine, n2-(2-quinoxalinylcarbonyl)-, l-

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]+ 303.108776 166.3
[M+Na]+ 325.090718 170.9
[M-H]- 301.094224 166.0
[M+NH4]+ 320.135323 177.2
[M+K]+ 341.064658 168.5
[M+H-H2O]+ 285.098760 157.6
[M+HCOO]- 347.099701 183.8
[M+CH3COO]- 361.115351 206.6
[M+Na-2H]- 323.076166 169.7
[M]+ 302.10095142 164.9
[M]- 302.10204858 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.