CID 3062497

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

Structural Information

Molecular Formula
C19H21ClN2
SMILES
C1CC2=CC=CC=C2C1N3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C19H21ClN2/c20-16-5-3-6-17(14-16)21-10-12-22(13-11-21)19-9-8-15-4-1-2-7-18(15)19/h1-7,14,19H,8-13H2
InChIKey
PJCCZRQUKZYSCF-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-1-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1393 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14658 175.9
[M+Na]+ 335.12852 182.3
[M-H]- 311.13202 182.3
[M+NH4]+ 330.17312 190.7
[M+K]+ 351.10246 174.7
[M+H-H2O]+ 295.13656 165.5
[M+HCOO]- 357.13750 187.2
[M+CH3COO]- 371.15315 185.4
[M+Na-2H]- 333.11397 176.3
[M]+ 312.13875 172.0
[M]- 312.13985 172.0
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.