CID 211109

7-bromo-1-ethyl-5-phenyl-1h-1,5-benzodiazepine-2,4(3h,5h)-dione

Structural Information

Molecular Formula
C17H15BrN2O2
SMILES
CCN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C17H15BrN2O2/c1-2-19-14-9-8-12(18)10-15(14)20(17(22)11-16(19)21)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3
InChIKey
DSGPKPSWELSLIT-UHFFFAOYSA-N
Compound name
7-bromo-1-ethyl-5-phenyl-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.03168 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.03896 171.1
[M+Na]+ 381.02090 181.9
[M-H]- 357.02440 179.6
[M+NH4]+ 376.06550 185.7
[M+K]+ 396.99484 174.1
[M+H-H2O]+ 341.02894 169.3
[M+HCOO]- 403.02988 186.9
[M+CH3COO]- 417.04553 183.4
[M+Na-2H]- 379.00635 175.8
[M]+ 358.03113 186.3
[M]- 358.03223 186.3
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.