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 192.0
[M-H]- 354.13786 190.7
[M+NH4]+ 373.17896 196.0
[M+K]+ 394.10830 190.7
[M+H-H2O]+ 338.14240 174.0
[M+HCOO]- 400.14334 199.0
[M+CH3COO]- 414.15899 193.8
[M+Na-2H]- 376.11981 187.1
[M]+ 355.14459 185.2
[M]- 355.14569 185.2
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.