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 166.7
[M+Na]+ 367.00527 177.9
[M-H]- 343.00877 175.4
[M+NH4]+ 362.04987 181.8
[M+K]+ 382.97921 170.4
[M+H-H2O]+ 327.01331 165.2
[M+HCOO]- 389.01425 182.9
[M+CH3COO]- 403.02990 179.4
[M+Na-2H]- 364.99072 171.9
[M]+ 344.01550 181.6
[M]- 344.01660 181.6
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