CID 667497

Pexantel

Structural Information

Molecular Formula
C12H22N2O
SMILES
CN1CCN(CC1)C(=O)C2CCCCC2
InChI
InChI=1S/C12H22N2O/c1-13-7-9-14(10-8-13)12(15)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKey
FRSIMZWJVMLPAI-UHFFFAOYSA-N
Compound name
cyclohexyl-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

113
Patents

210.17322 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18050 152.6
[M+Na]+ 233.16244 154.8
[M-H]- 209.16594 154.5
[M+NH4]+ 228.20704 167.9
[M+K]+ 249.13638 152.9
[M+H-H2O]+ 193.17048 143.7
[M+HCOO]- 255.17142 165.6
[M+CH3COO]- 269.18707 186.1
[M+Na-2H]- 231.14789 153.6
[M]+ 210.17267 143.7
[M]- 210.17377 143.7
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

No patent data available for this compound.