CID 3079852

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

Structural Information

Molecular Formula
C20H22ClN3O
SMILES
CN(C)CCCN1C(=O)CC(=NC2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C20H22ClN3O/c1-23(2)11-6-12-24-19-10-9-16(21)13-18(19)22-17(14-20(24)25)15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12,14H2,1-2H3
InChIKey
GWTWCKRGQISXIE-UHFFFAOYSA-N
Compound name
7-chloro-1-[3-(dimethylamino)propyl]-4-phenyl-3H-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.14514 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.15242 183.9
[M+Na]+ 378.13436 197.5
[M+NH4]+ 373.17896 191.2
[M+K]+ 394.10830 189.7
[M-H]- 354.13786 188.4
[M+Na-2H]- 376.11981 191.4
[M]+ 355.14459 187.6
[M]- 355.14569 187.6
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.