CID 215716

36115-83-0

Structural Information

Molecular Formula
C22H27ClN2O3
SMILES
CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3Cl)O
InChI
InChI=1S/C22H27ClN2O3/c1-2-22(27)17-7-9-19(10-8-17)28-16-18(26)15-24-11-13-25(14-12-24)21-6-4-3-5-20(21)23/h3-10,18,26H,2,11-16H2,1H3
InChIKey
VQNHMUVKVPDNBQ-UHFFFAOYSA-N
Compound name
1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.17102 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.178296 195.9
[M+Na]+ 425.160238 199.5
[M-H]- 401.163744 199.9
[M+NH4]+ 420.204843 203.3
[M+K]+ 441.134178 193.3
[M+H-H2O]+ 385.168280 185.2
[M+HCOO]- 447.169221 204.5
[M+CH3COO]- 461.184871 219.8
[M+Na-2H]- 423.145686 194.1
[M]+ 402.17047142 195.7
[M]- 402.17156858 195.7
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.