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]+ 340.12920 177.8
[M+Na]+ 362.11114 182.7
[M-H]- 338.11464 179.4
[M+NH4]+ 357.15574 187.1
[M+K]+ 378.08508 177.5
[M+H-H2O]+ 322.11918 168.3
[M+HCOO]- 384.12012 192.3
[M+CH3COO]- 398.13577 208.5
[M+Na-2H]- 360.09659 180.5
[M]+ 339.12137 174.2
[M]- 339.12247 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.