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]+ 403.17830 195.9
[M+Na]+ 425.16024 199.5
[M-H]- 401.16374 199.9
[M+NH4]+ 420.20484 203.3
[M+K]+ 441.13418 193.3
[M+H-H2O]+ 385.16828 185.2
[M+HCOO]- 447.16922 204.5
[M+CH3COO]- 461.18487 219.8
[M+Na-2H]- 423.14569 194.1
[M]+ 402.17047 195.7
[M]- 402.17157 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.