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]+ 323.13902 175.8
[M+Na]+ 345.12096 183.7
[M-H]- 321.12446 179.2
[M+NH4]+ 340.16556 187.2
[M+K]+ 361.09490 177.8
[M+H-H2O]+ 305.12900 165.8
[M+HCOO]- 367.12994 193.8
[M+CH3COO]- 381.14559 206.6
[M+Na-2H]- 343.10641 180.6
[M]+ 322.13119 177.7
[M]- 322.13229 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.