CID 3065070

O-cresol, 4-cyclohexyl-alpha-(4-methyl-1-piperazinyl)-

Structural Information

Molecular Formula
C18H28N2O
SMILES
CN1CCN(CC1)CC2=C(C=CC(=C2)C3CCCCC3)O
InChI
InChI=1S/C18H28N2O/c1-19-9-11-20(12-10-19)14-17-13-16(7-8-18(17)21)15-5-3-2-4-6-15/h7-8,13,15,21H,2-6,9-12,14H2,1H3
InChIKey
BGGGSMHLEZPTKX-UHFFFAOYSA-N
Compound name
4-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 173.7
[M+Na]+ 311.20937 175.9
[M-H]- 287.21287 177.3
[M+NH4]+ 306.25397 185.1
[M+K]+ 327.18331 170.9
[M+H-H2O]+ 271.21741 163.2
[M+HCOO]- 333.21835 185.3
[M+CH3COO]- 347.23400 181.4
[M+Na-2H]- 309.19482 173.1
[M]+ 288.21960 164.5
[M]- 288.22070 164.5
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.