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 182.5
[M+Na]+ 359.19412 184.2
[M-H]- 335.19762 186.5
[M+NH4]+ 354.23872 192.4
[M+K]+ 375.16806 182.9
[M+H-H2O]+ 319.20216 172.5
[M+HCOO]- 381.20310 200.0
[M+CH3COO]- 395.21875 210.8
[M+Na-2H]- 357.17957 184.9
[M]+ 336.20435 183.7
[M]- 336.20545 183.7
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.