CID 247490

7,8-dimethyl-1h-1,5-benzodiazepine-2,4(3h,5h)-dione

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC1=CC2=C(C=C1C)NC(=O)CC(=O)N2
InChI
InChI=1S/C11H12N2O2/c1-6-3-8-9(4-7(6)2)13-11(15)5-10(14)12-8/h3-4H,5H2,1-2H3,(H,12,14)(H,13,15)
InChIKey
RUBWPGJFSBXBDJ-UHFFFAOYSA-N
Compound name
7,8-dimethyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 141.7
[M+Na]+ 227.07909 149.6
[M-H]- 203.08259 142.8
[M+NH4]+ 222.12369 157.4
[M+K]+ 243.05303 149.6
[M+H-H2O]+ 187.08713 135.4
[M+HCOO]- 249.08807 157.4
[M+CH3COO]- 263.10372 184.5
[M+Na-2H]- 225.06454 146.1
[M]+ 204.08932 135.8
[M]- 204.09042 135.8
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.