CID 296506

Nsc166686

Structural Information

Molecular Formula
C11H12N2O4
SMILES
COC1=C(C=C2C(=C1)NC(=O)CC(=O)N2)OC
InChI
InChI=1S/C11H12N2O4/c1-16-8-3-6-7(4-9(8)17-2)13-11(15)5-10(14)12-6/h3-4H,5H2,1-2H3,(H,12,14)(H,13,15)
InChIKey
FPMSDCNHQIBQCD-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-1,5-dihydro-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07971 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08699 147.3
[M+Na]+ 259.06893 154.8
[M-H]- 235.07243 148.3
[M+NH4]+ 254.11353 161.5
[M+K]+ 275.04287 156.3
[M+H-H2O]+ 219.07697 140.5
[M+HCOO]- 281.07791 163.3
[M+CH3COO]- 295.09356 188.8
[M+Na-2H]- 257.05438 151.8
[M]+ 236.07916 144.1
[M]- 236.08026 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.