CID 98281

N-(2-quinoxaloyl)-l-phenylalanine

Structural Information

Molecular Formula
C18H15N3O3
SMILES
C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=NC3=CC=CC=C3N=C2
InChI
InChI=1S/C18H15N3O3/c22-17(16-11-19-13-8-4-5-9-14(13)20-16)21-15(18(23)24)10-12-6-2-1-3-7-12/h1-9,11,15H,10H2,(H,21,22)(H,23,24)
InChIKey
DRDSNCRMVBKYGN-UHFFFAOYSA-N
Compound name
3-phenyl-2-(quinoxaline-2-carbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.11133 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11861 172.8
[M+Na]+ 344.10055 177.9
[M-H]- 320.10405 175.9
[M+NH4]+ 339.14515 183.2
[M+K]+ 360.07449 173.4
[M+H-H2O]+ 304.10859 162.9
[M+HCOO]- 366.10953 190.4
[M+CH3COO]- 380.12518 207.4
[M+Na-2H]- 342.08600 178.3
[M]+ 321.11078 171.7
[M]- 321.11188 171.7
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.