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

118
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 162.4
[M+Na]+ 310.07982 167.1
[M-H]- 286.08332 163.5
[M+NH4]+ 305.12442 175.3
[M+K]+ 326.05376 164.8
[M+H-H2O]+ 270.08786 154.6
[M+HCOO]- 332.08880 181.2
[M+CH3COO]- 346.10445 203.8
[M+Na-2H]- 308.06527 165.5
[M]+ 287.09005 160.5
[M]- 287.09115 160.5
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.