CID 3088778

Benzenemethanamine, 3-(3-(4-phenyl-1-piperazinyl)propoxy)-, dihydrochloride

Structural Information

Molecular Formula
C20H27N3O
SMILES
C1CN(CCN1CCCOC2=CC=CC(=C2)CN)C3=CC=CC=C3
InChI
InChI=1S/C20H27N3O/c21-17-18-6-4-9-20(16-18)24-15-5-10-22-11-13-23(14-12-22)19-7-2-1-3-8-19/h1-4,6-9,16H,5,10-15,17,21H2
InChIKey
PFPZWUGZVVZWRJ-UHFFFAOYSA-N
Compound name
[3-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.21542 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.222696 180.6
[M+Na]+ 348.204638 183.6
[M-H]- 324.208144 185.3
[M+NH4]+ 343.249243 190.4
[M+K]+ 364.178578 177.8
[M+H-H2O]+ 308.212680 168.9
[M+HCOO]- 370.213621 197.7
[M+CH3COO]- 384.229271 188.6
[M+Na-2H]- 346.190086 183.0
[M]+ 325.21487142 176.1
[M]- 325.21596858 176.1
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.