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 177.2
[M+Na]+ 387.02737 187.8
[M-H]- 363.03087 180.2
[M+NH4]+ 382.07197 188.2
[M+K]+ 403.00131 185.3
[M+H-H2O]+ 347.03541 168.9
[M+HCOO]- 409.03635 184.8
[M+CH3COO]- 423.05200 186.6
[M+Na-2H]- 385.01282 180.2
[M]+ 364.03760 177.7
[M]- 364.03870 177.7
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.