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 170.6
[M-H]- 283.12187 166.8
[M+NH4]+ 302.16297 178.3
[M+K]+ 323.09231 166.0
[M+H-H2O]+ 267.12641 156.9
[M+HCOO]- 329.12735 176.0
[M+CH3COO]- 343.14300 196.7
[M+Na-2H]- 305.10382 167.0
[M]+ 284.12860 164.3
[M]- 284.12970 164.3
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