CID 34517

2,4,6-trimethylcarbanilic acid 2-morpholinocyclohexyl ester hydrochloride

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]+ 347.23293 187.4
[M+Na]+ 369.21487 189.3
[M-H]- 345.21837 194.6
[M+NH4]+ 364.25947 197.1
[M+K]+ 385.18881 187.1
[M+H-H2O]+ 329.22291 177.1
[M+HCOO]- 391.22385 200.9
[M+CH3COO]- 405.23950 215.6
[M+Na-2H]- 367.20032 185.8
[M]+ 346.22510 182.1
[M]- 346.22620 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.