CID 3087329

Carbamic acid, (2-(hexyloxy)phenyl)-, 1-((dimethylamino)methyl)cyclohexyl ester, hydrochloride

Structural Information

Molecular Formula
C22H36N2O3
SMILES
CCCCCCOC1=CC=CC=C1NC(=O)OC2(CCCCC2)CN(C)C
InChI
InChI=1S/C22H36N2O3/c1-4-5-6-12-17-26-20-14-9-8-13-19(20)23-21(25)27-22(18-24(2)3)15-10-7-11-16-22/h8-9,13-14H,4-7,10-12,15-18H2,1-3H3,(H,23,25)
InChIKey
STTBURAYYZGKSC-UHFFFAOYSA-N
Compound name
[1-[(dimethylamino)methyl]cyclohexyl] N-(2-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.27258 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.27986 195.6
[M+Na]+ 399.26180 195.7
[M-H]- 375.26530 201.1
[M+NH4]+ 394.30640 208.9
[M+K]+ 415.23574 194.1
[M+H-H2O]+ 359.26984 186.4
[M+HCOO]- 421.27078 215.2
[M+CH3COO]- 435.28643 225.7
[M+Na-2H]- 397.24725 195.8
[M]+ 376.27203 196.4
[M]- 376.27313 196.4
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.