CID 11266244

Ws-12

Structural Information

Molecular Formula
C18H27NO2
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)OC)C(C)C
InChI
InChI=1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)18(20)19-14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1
InChIKey
HNSGVPAAXJJOPQ-XOKHGSTOSA-N
Compound name
(1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

20
References

1002
Patents

289.2042 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 171.4
[M+Na]+ 312.19342 174.8
[M-H]- 288.19692 177.1
[M+NH4]+ 307.23802 186.7
[M+K]+ 328.16736 172.2
[M+H-H2O]+ 272.20146 163.7
[M+HCOO]- 334.20240 189.7
[M+CH3COO]- 348.21805 207.8
[M+Na-2H]- 310.17887 170.2
[M]+ 289.20365 168.9
[M]- 289.20475 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe