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]+ 378.217606 194.0
[M+Na]+ 400.199548 197.7
[M-H]- 376.203054 197.5
[M+NH4]+ 395.244153 200.9
[M+K]+ 416.173488 191.1
[M+H-H2O]+ 360.207590 181.3
[M+HCOO]- 422.208531 205.5
[M+CH3COO]- 436.224181 200.5
[M+Na-2H]- 398.184996 196.0
[M]+ 377.20978142 190.5
[M]- 377.21087858 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.