CID 211108

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

Structural Information

Molecular Formula
C16H13BrN2O2
SMILES
CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C16H13BrN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey
SWNNXMVVKBMLIN-UHFFFAOYSA-N
Compound name
7-bromo-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

344.01605 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.02333 165.9
[M+Na]+ 367.00527 170.4
[M+NH4]+ 362.04987 169.6
[M+K]+ 382.97921 170.1
[M-H]- 343.00877 167.5
[M+Na-2H]- 364.99072 169.7
[M]+ 344.01550 166.0
[M]- 344.01660 166.0
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

patents stripe