CID 3079851

2h-1,5-benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-(dimethylamino)ethyl)-4-phenyl-

Structural Information

Molecular Formula
C19H20ClN3O
SMILES
CN(C)CCN1C(=O)CC(=NC2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C19H20ClN3O/c1-22(2)10-11-23-18-9-8-15(20)12-17(18)21-16(13-19(23)24)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3
InChIKey
MNLMMTWAMHKDIZ-UHFFFAOYSA-N
Compound name
7-chloro-1-[2-(dimethylamino)ethyl]-4-phenyl-3H-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1295 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13678 179.5
[M+Na]+ 364.11872 193.3
[M+NH4]+ 359.16332 187.0
[M+K]+ 380.09266 185.8
[M-H]- 340.12222 184.1
[M+Na-2H]- 362.10417 187.3
[M]+ 341.12895 183.2
[M]- 341.13005 183.2
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.