CID 3069808

85239-23-2

Structural Information

Molecular Formula
C23H27N3O2
SMILES
CC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC4=C3N=CC=C4)O
InChI
InChI=1S/C23H27N3O2/c1-18-6-2-3-9-21(18)26-14-12-25(13-15-26)16-20(27)17-28-22-10-4-7-19-8-5-11-24-23(19)22/h2-11,20,27H,12-17H2,1H3
InChIKey
XMMYUYCWRCBQPQ-UHFFFAOYSA-N
Compound name
1-[4-(2-methylphenyl)piperazin-1-yl]-3-quinolin-8-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.21033 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 195.0
[M+Na]+ 400.19955 209.8
[M+NH4]+ 395.24415 202.2
[M+K]+ 416.17349 201.0
[M-H]- 376.20305 200.2
[M+Na-2H]- 398.18500 203.1
[M]+ 377.20978 198.6
[M]- 377.21088 198.6
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

No patent data available for this compound.