CID 46175

63990-66-9

Structural Information

Molecular Formula
C21H25ClN2O3
SMILES
CC(=O)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=C3Cl)O
InChI
InChI=1S/C21H25ClN2O3/c1-16(25)18-6-2-5-9-21(18)27-15-17(26)14-23-10-12-24(13-11-23)20-8-4-3-7-19(20)22/h2-9,17,26H,10-15H2,1H3
InChIKey
NIHRMUCHYZKKDX-UHFFFAOYSA-N
Compound name
1-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.15536 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.162636 191.5
[M+Na]+ 411.144578 195.6
[M-H]- 387.148084 195.8
[M+NH4]+ 406.189183 199.5
[M+K]+ 427.118518 189.6
[M+H-H2O]+ 371.152620 181.0
[M+HCOO]- 433.153561 200.4
[M+CH3COO]- 447.169211 216.9
[M+Na-2H]- 409.130026 190.2
[M]+ 388.15481142 191.0
[M]- 388.15590858 191.0
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.