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]+ 335.23293 182.4
[M+Na]+ 357.21487 183.9
[M-H]- 333.21837 188.6
[M+NH4]+ 352.25947 197.5
[M+K]+ 373.18881 182.9
[M+H-H2O]+ 317.22291 173.8
[M+HCOO]- 379.22385 203.1
[M+CH3COO]- 393.23950 216.9
[M+Na-2H]- 355.20032 184.2
[M]+ 334.22510 182.2
[M]- 334.22620 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.