CID 3087042

Carbamic acid, (3-(pentyloxy)phenyl)-, 2-(4-morpholinyl)ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C18H28N2O4
SMILES
CCCCCOC1=CC=CC(=C1)NC(=O)OCCN2CCOCC2
InChI
InChI=1S/C18H28N2O4/c1-2-3-4-11-23-17-7-5-6-16(15-17)19-18(21)24-14-10-20-8-12-22-13-9-20/h5-7,15H,2-4,8-14H2,1H3,(H,19,21)
InChIKey
MLUVJGPLBJNDBJ-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl N-(3-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.2049 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 183.2
[M+Na]+ 359.19412 192.6
[M+NH4]+ 354.23872 188.8
[M+K]+ 375.16806 186.4
[M-H]- 335.19762 186.8
[M+Na-2H]- 357.17957 187.3
[M]+ 336.20435 185.2
[M]- 336.20545 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.