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

3
Patents

328.06146 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.068736 170.5
[M+Na]+ 351.050678 180.4
[M-H]- 327.054184 176.8
[M+NH4]+ 346.095283 183.4
[M+K]+ 367.024618 179.6
[M+H-H2O]+ 311.058720 162.2
[M+HCOO]- 373.059661 183.7
[M+CH3COO]- 387.075311 181.4
[M+Na-2H]- 349.036126 173.0
[M]+ 328.06091142 170.1
[M]- 328.06200858 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