CID 212771

24863-09-0

Structural Information

Molecular Formula
C17H12Cl2N2O3
SMILES
C1C(=O)N(C2=C(C=CC(=C2)Cl)N(C1=O)C(=O)CCl)C3=CC=CC=C3
InChI
InChI=1S/C17H12Cl2N2O3/c18-10-17(24)21-13-7-6-11(19)8-14(13)20(15(22)9-16(21)23)12-4-2-1-3-5-12/h1-8H,9-10H2
InChIKey
IMRBIDCBCVNCIE-UHFFFAOYSA-N
Compound name
7-chloro-1-(2-chloroacetyl)-5-phenyl-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0225 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.02978 174.7
[M+Na]+ 385.01172 188.7
[M+NH4]+ 380.05632 181.2
[M+K]+ 400.98566 182.2
[M-H]- 361.01522 177.1
[M+Na-2H]- 382.99717 180.9
[M]+ 362.02195 178.0
[M]- 362.02305 178.0
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

No patent data available for this compound.