CID 2729468

334973-23-8

Structural Information

Molecular Formula
C18H17N3O4
SMILES
CC(=O)OC1=CC=CC(=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2
InChI
InChI=1S/C18H17N3O4/c1-11(22)25-13-6-4-5-12(9-13)19-17(23)10-16-18(24)21-15-8-3-2-7-14(15)20-16/h2-9,16,20H,10H2,1H3,(H,19,23)(H,21,24)
InChIKey
QDUOHIGTMATUFM-UHFFFAOYSA-N
Compound name
[3-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.12192 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.129196 177.8
[M+Na]+ 362.111138 182.7
[M-H]- 338.114644 179.4
[M+NH4]+ 357.155743 187.1
[M+K]+ 378.085078 177.5
[M+H-H2O]+ 322.119180 168.3
[M+HCOO]- 384.120121 192.3
[M+CH3COO]- 398.135771 208.5
[M+Na-2H]- 360.096586 180.5
[M]+ 339.12137142 174.2
[M]- 339.12246858 174.2
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.