CID 6331338

Nsc669736

Structural Information

Molecular Formula
C20H27NO
SMILES
CC1=CC=C(C=C1)/C=C\2/CCCC(C2=O)CN3CCCCC3
InChI
InChI=1S/C20H27NO/c1-16-8-10-17(11-9-16)14-18-6-5-7-19(20(18)22)15-21-12-3-2-4-13-21/h8-11,14,19H,2-7,12-13,15H2,1H3/b18-14-
InChIKey
NLQRFVDNRTUTBS-JXAWBTAJSA-N
Compound name
(2Z)-2-[(4-methylphenyl)methylidene]-6-(piperidin-1-ylmethyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 175.1
[M+Na]+ 320.19848 177.5
[M-H]- 296.20198 181.3
[M+NH4]+ 315.24308 188.2
[M+K]+ 336.17242 171.9
[M+H-H2O]+ 280.20652 165.1
[M+HCOO]- 342.20746 189.3
[M+CH3COO]- 356.22311 203.9
[M+Na-2H]- 318.18393 173.9
[M]+ 297.20871 166.4
[M]- 297.20981 166.4
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.