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

25
Patents

284.12915 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.136426 165.4
[M+Na]+ 307.118368 170.6
[M-H]- 283.121874 166.8
[M+NH4]+ 302.162973 178.3
[M+K]+ 323.092308 166.0
[M+H-H2O]+ 267.126410 156.9
[M+HCOO]- 329.127351 176.0
[M+CH3COO]- 343.143001 196.7
[M+Na-2H]- 305.103816 167.0
[M]+ 284.12860142 164.3
[M]- 284.12969858 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