CID 212747

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

Structural Information

Molecular Formula
C22H15BrN2O3
SMILES
C1C(=O)N(C2=C(C=CC(=C2)Br)N(C1=O)C(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H15BrN2O3/c23-16-11-12-18-19(13-16)24(17-9-5-2-6-10-17)20(26)14-21(27)25(18)22(28)15-7-3-1-4-8-15/h1-13H,14H2
InChIKey
GQFDPYJUUFYOFM-UHFFFAOYSA-N
Compound name
1-benzoyl-7-bromo-5-phenyl-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

434.0266 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.03388 192.8
[M+Na]+ 457.01582 202.2
[M-H]- 433.01932 203.7
[M+NH4]+ 452.06042 203.7
[M+K]+ 472.98976 194.7
[M+H-H2O]+ 417.02386 190.1
[M+HCOO]- 479.02480 207.4
[M+CH3COO]- 493.04045 203.4
[M+Na-2H]- 455.00127 195.8
[M]+ 434.02605 206.9
[M]- 434.02715 206.9
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