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 163.1
[M+Na]+ 307.11837 169.0
[M-H]- 283.12187 163.6
[M+NH4]+ 302.16297 177.5
[M+K]+ 323.09231 159.3
[M+H-H2O]+ 267.12641 161.0
[M+HCOO]- 329.12735 172.7
[M+CH3COO]- 343.14300 187.4
[M+Na-2H]- 305.10382 166.8
[M]+ 284.12860 158.5
[M]- 284.12970 158.5
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

No patent data available for this compound.