CID 212129

1-acetyl-7-chloro-5-phenyl-1h-1,5-benzodiazepine-2,4(3h,5h)-dione

Structural Information

Molecular Formula
C17H13ClN2O3
SMILES
CC(=O)N1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C17H13ClN2O3/c1-11(21)19-14-8-7-12(18)9-15(14)20(17(23)10-16(19)22)13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChIKey
ZBFPPOKYYPQMBZ-UHFFFAOYSA-N
Compound name
1-acetyl-7-chloro-5-phenyl-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.06146 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06874 170.5
[M+Na]+ 351.05068 180.4
[M-H]- 327.05418 176.8
[M+NH4]+ 346.09528 183.4
[M+K]+ 367.02462 179.6
[M+H-H2O]+ 311.05872 162.2
[M+HCOO]- 373.05966 183.7
[M+CH3COO]- 387.07531 181.4
[M+Na-2H]- 349.03613 173.0
[M]+ 328.06091 170.1
[M]- 328.06201 170.1
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