CID 3076226

Brn 4237624

Structural Information

Molecular Formula
C22H34N2O2
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)O[C@@H]2CCCC[C@H]2CN3CCCCC3)C
InChI
InChI=1S/C22H34N2O2/c1-16-13-17(2)21(18(3)14-16)23-22(25)26-20-10-6-5-9-19(20)15-24-11-7-4-8-12-24/h13-14,19-20H,4-12,15H2,1-3H3,(H,23,25)/t19-,20+/m0/s1
InChIKey
UIIPJSIZEYBAFH-VQTJNVASSA-N
Compound name
[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.26202 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.26930 191.7
[M+Na]+ 381.25124 192.7
[M-H]- 357.25474 197.9
[M+NH4]+ 376.29584 202.3
[M+K]+ 397.22518 188.5
[M+H-H2O]+ 341.25928 181.3
[M+HCOO]- 403.26022 205.3
[M+CH3COO]- 417.27587 219.2
[M+Na-2H]- 379.23669 188.4
[M]+ 358.26147 185.0
[M]- 358.26257 185.0
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.