CID 3059225

Benzenemethanol, 2-chloro-4-(4-(1-methylethyl)-1-piperazinyl)-

Structural Information

Molecular Formula
C14H21ClN2O
SMILES
CC(C)N1CCN(CC1)C2=CC(=C(C=C2)CO)Cl
InChI
InChI=1S/C14H21ClN2O/c1-11(2)16-5-7-17(8-6-16)13-4-3-12(10-18)14(15)9-13/h3-4,9,11,18H,5-8,10H2,1-2H3
InChIKey
LMHOVEOCHOIYLQ-UHFFFAOYSA-N
Compound name
[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

268.13425 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14153 162.8
[M+Na]+ 291.12347 169.1
[M-H]- 267.12697 164.5
[M+NH4]+ 286.16807 176.8
[M+K]+ 307.09741 163.9
[M+H-H2O]+ 251.13151 154.8
[M+HCOO]- 313.13245 173.2
[M+CH3COO]- 327.14810 195.9
[M+Na-2H]- 289.10892 163.5
[M]+ 268.13370 160.7
[M]- 268.13480 160.7
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