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]+ 285.136426 163.1
[M+Na]+ 307.118368 169.0
[M-H]- 283.121874 163.6
[M+NH4]+ 302.162973 177.5
[M+K]+ 323.092308 159.3
[M+H-H2O]+ 267.126410 161.0
[M+HCOO]- 329.127351 172.7
[M+CH3COO]- 343.143001 187.4
[M+Na-2H]- 305.103816 166.8
[M]+ 284.12860142 158.5
[M]- 284.12969858 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.