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]+ 389.16264 191.5
[M+Na]+ 411.14458 195.6
[M-H]- 387.14808 195.8
[M+NH4]+ 406.18918 199.5
[M+K]+ 427.11852 189.6
[M+H-H2O]+ 371.15262 181.0
[M+HCOO]- 433.15356 200.4
[M+CH3COO]- 447.16921 216.9
[M+Na-2H]- 409.13003 190.2
[M]+ 388.15481 191.0
[M]- 388.15591 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.