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 188.0
[M-H]- 340.12222 186.5
[M+NH4]+ 359.16332 192.2
[M+K]+ 380.09266 186.9
[M+H-H2O]+ 324.12676 169.9
[M+HCOO]- 386.12770 195.0
[M+CH3COO]- 400.14335 189.9
[M+Na-2H]- 362.10417 183.2
[M]+ 341.12895 180.4
[M]- 341.13005 180.4
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.