CID 3076230

Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-morpholinylmethyl)cyclohexyl ester, monohydrochloride, cis-

Structural Information

Molecular Formula
C25H40N2O4
SMILES
CCCCCCCOC1=CC=CC=C1NC(=O)O[C@@H]2CCCC[C@@H]2CN3CCOCC3
InChI
InChI=1S/C25H40N2O4/c1-2-3-4-5-10-17-30-24-14-9-7-12-22(24)26-25(28)31-23-13-8-6-11-21(23)20-27-15-18-29-19-16-27/h7,9,12,14,21,23H,2-6,8,10-11,13,15-20H2,1H3,(H,26,28)/t21-,23-/m1/s1
InChIKey
GZMWCZZIWWOSCQ-FYYLOGMGSA-N
Compound name
[(1R,2R)-2-(morpholin-4-ylmethyl)cyclohexyl] N-(2-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2988 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.30608 210.1
[M+Na]+ 455.28802 207.6
[M-H]- 431.29152 215.3
[M+NH4]+ 450.33262 215.3
[M+K]+ 471.26196 205.0
[M+H-H2O]+ 415.29606 198.1
[M+HCOO]- 477.29700 222.0
[M+CH3COO]- 491.31265 229.9
[M+Na-2H]- 453.27347 207.5
[M]+ 432.29825 206.9
[M]- 432.29935 206.9
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.