CID 3087325

Carbamic acid, n-(2-propoxyphenyl)-, 1-((dimethylamino)methyl)cyclohexyl ester, hydrochloride

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CCCOC1=CC=CC=C1NC(=O)OC2(CCCCC2)CN(C)C
InChI
InChI=1S/C19H30N2O3/c1-4-14-23-17-11-7-6-10-16(17)20-18(22)24-19(15-21(2)3)12-8-5-9-13-19/h6-7,10-11H,4-5,8-9,12-15H2,1-3H3,(H,20,22)
InChIKey
AOLRYQSGMUYJLD-UHFFFAOYSA-N
Compound name
[1-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.232926 182.4
[M+Na]+ 357.214868 183.9
[M-H]- 333.218374 188.6
[M+NH4]+ 352.259473 197.5
[M+K]+ 373.188808 182.9
[M+H-H2O]+ 317.222910 173.8
[M+HCOO]- 379.223851 203.1
[M+CH3COO]- 393.239501 216.9
[M+Na-2H]- 355.200316 184.2
[M]+ 334.22510142 182.2
[M]- 334.22619858 182.2
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.