CID 459863

Hydrate [10:7]

Structural Information

Molecular Formula
C16H16N4O3
SMILES
COC(=O)NC1=CC(=C2C(=C1)NC(=O)C(N2)C3=CC=CC=C3)N
InChI
InChI=1S/C16H16N4O3/c1-23-16(22)18-10-7-11(17)14-12(8-10)19-15(21)13(20-14)9-5-3-2-4-6-9/h2-8,13,20H,17H2,1H3,(H,18,22)(H,19,21)
InChIKey
ZWMXZUIFOLWIBP-UHFFFAOYSA-N
Compound name
methyl N-(8-amino-3-oxo-2-phenyl-2,4-dihydro-1H-quinoxalin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.12225 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12953 171.5
[M+Na]+ 335.11147 177.8
[M-H]- 311.11497 173.4
[M+NH4]+ 330.15607 182.1
[M+K]+ 351.08541 172.1
[M+H-H2O]+ 295.11951 162.5
[M+HCOO]- 357.12045 187.8
[M+CH3COO]- 371.13610 206.3
[M+Na-2H]- 333.09692 175.2
[M]+ 312.12170 166.1
[M]- 312.12280 166.1
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.