CID 25126651

Ec 700-097-6

Structural Information

Molecular Formula
C18H28N2O
SMILES
C[C@@H]1CC[C@H]([C@@H](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)/t14-,16+,17-/m1/s1
InChIKey
WXABJFUNSDXVNH-HYVNUMGLSA-N
Compound name
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1288
Patents

288.22015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 173.2
[M+Na]+ 311.20937 175.7
[M-H]- 287.21287 177.0
[M+NH4]+ 306.25397 186.8
[M+K]+ 327.18331 172.2
[M+H-H2O]+ 271.21741 164.3
[M+HCOO]- 333.21835 190.0
[M+CH3COO]- 347.23400 207.1
[M+Na-2H]- 309.19482 172.7
[M]+ 288.21960 169.3
[M]- 288.22070 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