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 188.8
[M+Na]+ 390.12312 196.4
[M-H]- 366.12662 195.5
[M+NH4]+ 385.16772 199.7
[M+K]+ 406.09706 189.2
[M+H-H2O]+ 350.13116 179.3
[M+HCOO]- 412.13210 202.9
[M+CH3COO]- 426.14775 213.5
[M+Na-2H]- 388.10857 192.6
[M]+ 367.13335 192.2
[M]- 367.13445 192.2
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