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]+ 347.269296 188.9
[M+Na]+ 369.251238 191.5
[M-H]- 345.254744 195.7
[M+NH4]+ 364.295843 202.5
[M+K]+ 385.225178 189.2
[M+H-H2O]+ 329.259280 180.1
[M+HCOO]- 391.260221 208.6
[M+CH3COO]- 405.275871 225.0
[M+Na-2H]- 367.236686 186.2
[M]+ 346.26147142 188.9
[M]- 346.26256858 188.9
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.