CID 3047830

Perafensine hydrochloride

Structural Information

Molecular Formula
C19H19N3
SMILES
C1CN(CCN1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C19H19N3/c1-2-6-15(7-3-1)19-17-9-5-4-8-16(17)14-18(21-19)22-12-10-20-11-13-22/h1-9,14,20H,10-13H2
InChIKey
BHHDTFRLKOTSKW-UHFFFAOYSA-N
Compound name
1-phenyl-3-piperazin-1-ylisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

289.1579 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16518 170.0
[M+Na]+ 312.14712 175.4
[M-H]- 288.15062 173.7
[M+NH4]+ 307.19172 180.5
[M+K]+ 328.12106 167.5
[M+H-H2O]+ 272.15516 158.0
[M+HCOO]- 334.15610 183.5
[M+CH3COO]- 348.17175 178.4
[M+Na-2H]- 310.13257 175.8
[M]+ 289.15735 162.6
[M]- 289.15845 162.6
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

patents stripe