CID 3087327

Carbamic acid, (2-(pentyloxy)phenyl)-, 1-((dimethylamino)methyl)cyclohexyl ester, monohydrochloride

Structural Information

Molecular Formula
C21H34N2O3
SMILES
CCCCCOC1=CC=CC=C1NC(=O)OC2(CCCCC2)CN(C)C
InChI
InChI=1S/C21H34N2O3/c1-4-5-11-16-25-19-13-8-7-12-18(19)22-20(24)26-21(17-23(2)3)14-9-6-10-15-21/h7-8,12-13H,4-6,9-11,14-17H2,1-3H3,(H,22,24)
InChIKey
XQAHGTFHGNLWNM-UHFFFAOYSA-N
Compound name
[1-[(dimethylamino)methyl]cyclohexyl] N-(2-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.25696 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26424 191.2
[M+Na]+ 385.24618 191.8
[M-H]- 361.24968 197.0
[M+NH4]+ 380.29078 205.1
[M+K]+ 401.22012 190.4
[M+H-H2O]+ 345.25422 182.2
[M+HCOO]- 407.25516 211.2
[M+CH3COO]- 421.27081 222.8
[M+Na-2H]- 383.23163 192.0
[M]+ 362.25641 191.7
[M]- 362.25751 191.7
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.