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]+ 237.086986 147.3
[M+Na]+ 259.068928 154.8
[M-H]- 235.072434 148.3
[M+NH4]+ 254.113533 161.5
[M+K]+ 275.042868 156.3
[M+H-H2O]+ 219.076970 140.5
[M+HCOO]- 281.077911 163.3
[M+CH3COO]- 295.093561 188.8
[M+Na-2H]- 257.054376 151.8
[M]+ 236.07916142 144.1
[M]- 236.08025858 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.