CID 3076244

Carbamic acid, (2,4,6-trimethylphenyl)-, 2-((diethylamino)methyl)cyclohexyl ester, monohydrochloride, trans-

Structural Information

Molecular Formula
C21H34N2O2
SMILES
CCN(CC)C[C@@H]1CCCC[C@H]1OC(=O)NC2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C21H34N2O2/c1-6-23(7-2)14-18-10-8-9-11-19(18)25-21(24)22-20-16(4)12-15(3)13-17(20)5/h12-13,18-19H,6-11,14H2,1-5H3,(H,22,24)/t18-,19+/m0/s1
InChIKey
URUZIJGUHCDSKZ-RBUKOAKNSA-N
Compound name
[(1R,2S)-2-(diethylaminomethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.26202 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.26930 189.0
[M+Na]+ 369.25124 198.6
[M+NH4]+ 364.29584 195.9
[M+K]+ 385.22518 191.6
[M-H]- 345.25474 193.8
[M+Na-2H]- 367.23669 193.5
[M]+ 346.26147 191.5
[M]- 346.26257 191.5
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.