CID 11044384

136465-98-0

Structural Information

Molecular Formula
C14H13N3O4
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C(=O)N[C@@H](CC(=O)N)C(=O)O
InChI
InChI=1S/C14H13N3O4/c15-12(18)7-11(14(20)21)17-13(19)10-6-5-8-3-1-2-4-9(8)16-10/h1-6,11H,7H2,(H2,15,18)(H,17,19)(H,20,21)/t11-/m0/s1
InChIKey
VSHYTRKWRSIOEV-NSHDSACASA-N
Compound name
(2S)-4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

106
Patents

287.0906 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09788 162.7
[M+Na]+ 310.07982 171.1
[M+NH4]+ 305.12442 167.3
[M+K]+ 326.05376 168.4
[M-H]- 286.08332 162.4
[M+Na-2H]- 308.06527 165.8
[M]+ 287.09005 163.1
[M]- 287.09115 163.1
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