CID 3022025

2-chloro-4-(4-ethyl-1-piperazinyl)benzenemethanol

Structural Information

Molecular Formula
C22H22ClNO2
SMILES
CCC(C1=CC=C(C=C1)OCC2=CC=CC(=N2)C)(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C22H22ClNO2/c1-3-22(25,17-7-11-19(23)12-8-17)18-9-13-21(14-10-18)26-15-20-6-4-5-16(2)24-20/h4-14,25H,3,15H2,1-2H3
InChIKey
JCKZUSTZSIACAR-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-1-[4-[(6-methylpyridin-2-yl)methoxy]phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

367.1339 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14118 190.7
[M+Na]+ 390.12312 207.9
[M+NH4]+ 385.16772 198.9
[M+K]+ 406.09706 198.1
[M-H]- 366.12662 196.7
[M+Na-2H]- 388.10857 201.7
[M]+ 367.13335 195.5
[M]- 367.13445 195.5
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