CID 20079314

1-chloro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol

Structural Information

Molecular Formula
C14H21ClN2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC(CCl)O
InChI
InChI=1S/C14H21ClN2O2/c1-19-14-5-3-2-4-13(14)17-8-6-16(7-9-17)11-12(18)10-15/h2-5,12,18H,6-11H2,1H3
InChIKey
ZJJVMOCDIGKVAK-UHFFFAOYSA-N
Compound name
1-chloro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

284.12915 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13643 165.4
[M+Na]+ 307.11837 177.9
[M+NH4]+ 302.16297 172.9
[M+K]+ 323.09231 170.9
[M-H]- 283.12187 167.6
[M+Na-2H]- 305.10382 171.3
[M]+ 284.12860 168.0
[M]- 284.12970 168.0
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

patents stripe