CID 38730

7-chloro-5-(o-chlorophenyl)-1,3-dihydro-3-(2-hydroxyethoxy)-2h-1,4-benzodiazepin-2-one

Structural Information

Molecular Formula
C17H14Cl2N2O3
SMILES
C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OCCO)Cl
InChI
InChI=1S/C17H14Cl2N2O3/c18-10-5-6-14-12(9-10)15(11-3-1-2-4-13(11)19)21-17(16(23)20-14)24-8-7-22/h1-6,9,17,22H,7-8H2,(H,20,23)
InChIKey
NFSVUJIJKGNQIM-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-chlorophenyl)-3-(2-hydroxyethoxy)-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.03815 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.04543 176.9
[M+Na]+ 387.02737 191.0
[M+NH4]+ 382.07197 183.4
[M+K]+ 403.00131 184.2
[M-H]- 363.03087 179.2
[M+Na-2H]- 385.01282 183.2
[M]+ 364.03760 180.2
[M]- 364.03870 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.