CID 3075719

198767-56-5

Structural Information

Molecular Formula
C17H27N3O
SMILES
C1CCN(C1)CC(CN2CCN(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C17H27N3O/c21-17(14-18-8-4-5-9-18)15-19-10-12-20(13-11-19)16-6-2-1-3-7-16/h1-3,6-7,17,21H,4-5,8-15H2
InChIKey
MEWQTXZXWAAJSR-UHFFFAOYSA-N
Compound name
1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.21542 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.22270 172.1
[M+Na]+ 312.20464 173.5
[M-H]- 288.20814 174.3
[M+NH4]+ 307.24924 183.4
[M+K]+ 328.17858 169.1
[M+H-H2O]+ 272.21268 161.1
[M+HCOO]- 334.21362 184.0
[M+CH3COO]- 348.22927 179.5
[M+Na-2H]- 310.19009 170.6
[M]+ 289.21487 164.0
[M]- 289.21597 164.0
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.