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 194.0
[M+Na]+ 400.19955 197.7
[M-H]- 376.20305 197.5
[M+NH4]+ 395.24415 200.9
[M+K]+ 416.17349 191.1
[M+H-H2O]+ 360.20759 181.3
[M+HCOO]- 422.20853 205.5
[M+CH3COO]- 436.22418 200.5
[M+Na-2H]- 398.18500 196.0
[M]+ 377.20978 190.5
[M]- 377.21088 190.5
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.