CID 2374894

721426-15-9

Structural Information

Molecular Formula
C19H18N2O3
SMILES
C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C(C2=O)CCC(=O)O
InChI
InChI=1S/C19H18N2O3/c22-18(23)11-10-16-19(24)21(13-12-14-6-2-1-3-7-14)17-9-5-4-8-15(17)20-16/h1-9H,10-13H2,(H,22,23)
InChIKey
GJKZXPRRHXVZBO-UHFFFAOYSA-N
Compound name
3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

322.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 175.8
[M+Na]+ 345.120958 183.7
[M-H]- 321.124464 179.2
[M+NH4]+ 340.165563 187.2
[M+K]+ 361.094898 177.8
[M+H-H2O]+ 305.129000 165.8
[M+HCOO]- 367.129941 193.8
[M+CH3COO]- 381.145591 206.6
[M+Na-2H]- 343.106406 180.6
[M]+ 322.13119142 177.7
[M]- 322.13228858 177.7
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

No patent data available for this compound.