CID 211107

22284-72-6

Structural Information

Molecular Formula
C15H11BrN2O2
SMILES
C1C(=O)NC2=C(C=C(C=C2)Br)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H11BrN2O2/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(20)9-14(19)17-12/h1-8H,9H2,(H,17,19)
InChIKey
CBVGHKAQMBCHNO-UHFFFAOYSA-N
Compound name
7-bromo-5-phenyl-1H-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

330.0004 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.00768 163.5
[M+Na]+ 352.98962 173.8
[M-H]- 328.99312 170.8
[M+NH4]+ 348.03422 178.2
[M+K]+ 368.96356 165.7
[M+H-H2O]+ 312.99766 162.2
[M+HCOO]- 374.99860 178.6
[M+CH3COO]- 389.01425 175.7
[M+Na-2H]- 350.97507 169.4
[M]+ 329.99985 176.2
[M]- 330.00095 176.2
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