CID 3062506

1-(3-chlorophenyl)-4-((2,3-dihydro-1h-inden-1-yl)acetyl)piperazine monohydrochloride

Structural Information

Molecular Formula
C21H23ClN2O
SMILES
C1CC2=CC=CC=C2C1CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C21H23ClN2O/c22-18-5-3-6-19(15-18)23-10-12-24(13-11-23)21(25)14-17-9-8-16-4-1-2-7-20(16)17/h1-7,15,17H,8-14H2
InChIKey
BPSLDLRLBXAMRE-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,3-dihydro-1H-inden-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1499 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15718 187.0
[M+Na]+ 377.13912 192.4
[M-H]- 353.14262 193.3
[M+NH4]+ 372.18372 200.0
[M+K]+ 393.11306 185.0
[M+H-H2O]+ 337.14716 176.5
[M+HCOO]- 399.14810 197.0
[M+CH3COO]- 413.16375 195.4
[M+Na-2H]- 375.12457 185.4
[M]+ 354.14935 183.9
[M]- 354.15045 183.9
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.