CID 56969824

Dtxsid201020362

Structural Information

Molecular Formula
C18H28N2O
SMILES
CC1CCC(C(C1)C(=O)NCCC2=CC=CC=N2)C(C)C
InChI
InChI=1S/C18H28N2O/c1-13(2)16-8-7-14(3)12-17(16)18(21)20-11-9-15-6-4-5-10-19-15/h4-6,10,13-14,16-17H,7-9,11-12H2,1-3H3,(H,20,21)
InChIKey
WXABJFUNSDXVNH-UHFFFAOYSA-N
Compound name
5-methyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1172
Patents

288.22015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.227426 173.2
[M+Na]+ 311.209368 175.7
[M-H]- 287.212874 177.0
[M+NH4]+ 306.253973 186.8
[M+K]+ 327.183308 172.2
[M+H-H2O]+ 271.217410 164.3
[M+HCOO]- 333.218351 190.0
[M+CH3COO]- 347.234001 207.1
[M+Na-2H]- 309.194816 172.7
[M]+ 288.21960142 169.3
[M]- 288.22069858 169.3
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

patents stripe