CID 3076240

Carbamic acid, (2-(octyloxy)phenyl)-, 2-(4-morpholinylmethyl)phenyl ester, monohydrochloride

Structural Information

Molecular Formula
C26H36N2O4
SMILES
CCCCCCCCOC1=CC=CC=C1NC(=O)OC2=CC=CC=C2CN3CCOCC3
InChI
InChI=1S/C26H36N2O4/c1-2-3-4-5-6-11-18-31-25-15-10-8-13-23(25)27-26(29)32-24-14-9-7-12-22(24)21-28-16-19-30-20-17-28/h7-10,12-15H,2-6,11,16-21H2,1H3,(H,27,29)
InChIKey
FSJWPRAENOIMDR-UHFFFAOYSA-N
Compound name
[2-(morpholin-4-ylmethyl)phenyl] N-(2-octoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.26752 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.274796 211.8
[M+Na]+ 463.256738 211.9
[M-H]- 439.260244 218.1
[M+NH4]+ 458.301343 216.9
[M+K]+ 479.230678 208.5
[M+H-H2O]+ 423.264780 199.4
[M+HCOO]- 485.265721 227.6
[M+CH3COO]- 499.281371 231.6
[M+Na-2H]- 461.242186 211.6
[M]+ 440.26697142 213.1
[M]- 440.26806858 213.1
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.