CID 34517

29195-00-4

Structural Information

Molecular Formula
C20H30N2O3
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)OC2CCCCC2N3CCOCC3)C
InChI
InChI=1S/C20H30N2O3/c1-14-12-15(2)19(16(3)13-14)21-20(23)25-18-7-5-4-6-17(18)22-8-10-24-11-9-22/h12-13,17-18H,4-11H2,1-3H3,(H,21,23)
InChIKey
WATMWPCOBBVOBS-UHFFFAOYSA-N
Compound name
(2-morpholin-4-ylcyclohexyl) N-(2,4,6-trimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.22565 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.232926 187.4
[M+Na]+ 369.214868 189.3
[M-H]- 345.218374 194.6
[M+NH4]+ 364.259473 197.1
[M+K]+ 385.188808 187.1
[M+H-H2O]+ 329.222910 177.1
[M+HCOO]- 391.223851 200.9
[M+CH3COO]- 405.239501 215.6
[M+Na-2H]- 367.200316 185.8
[M]+ 346.22510142 182.1
[M]- 346.22619858 182.1
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.