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]+ 363.029776 175.2
[M+Na]+ 385.011718 186.1
[M-H]- 361.015224 180.6
[M+NH4]+ 380.056323 187.4
[M+K]+ 400.985658 184.4
[M+H-H2O]+ 345.019760 166.7
[M+HCOO]- 407.020701 183.8
[M+CH3COO]- 421.036351 185.5
[M+Na-2H]- 382.997166 177.2
[M]+ 362.02195142 176.0
[M]- 362.02304858 176.0
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.