CID 3059226

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

Structural Information

Molecular Formula
C14H21ClN2O2
SMILES
CC(C)[N+]1(CCN(CC1)C2=CC(=C(C=C2)CO)Cl)[O-]
InChI
InChI=1S/C14H21ClN2O2/c1-11(2)17(19)7-5-16(6-8-17)13-4-3-12(10-18)14(15)9-13/h3-4,9,11,18H,5-8,10H2,1-2H3
InChIKey
IGUPKERQKLJPLN-UHFFFAOYSA-N
Compound name
[2-chloro-4-(4-oxido-4-propan-2-ylpiperazin-4-ium-1-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 164.1
[M+Na]+ 307.11837 178.7
[M+NH4]+ 302.16297 173.7
[M+K]+ 323.09231 171.6
[M-H]- 283.12187 167.7
[M+Na-2H]- 305.10382 171.3
[M]+ 284.12860 167.6
[M]- 284.12970 167.6
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

No patent data available for this compound.