CID 3087052

Carbamic acid, (3-(heptyloxy)phenyl)-, 2-(morpholino)ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C20H32N2O4
SMILES
CCCCCCCOC1=CC=CC(=C1)NC(=O)OCCN2CCOCC2
InChI
InChI=1S/C20H32N2O4/c1-2-3-4-5-6-13-25-19-9-7-8-18(17-19)21-20(23)26-16-12-22-10-14-24-15-11-22/h7-9,17H,2-6,10-16H2,1H3,(H,21,23)
InChIKey
GDFHQXOTNWZFNS-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl N-(3-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.2362 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.24348 192.1
[M+Na]+ 387.22542 201.0
[M+NH4]+ 382.27002 197.3
[M+K]+ 403.19936 194.4
[M-H]- 363.22892 195.6
[M+Na-2H]- 385.21087 195.6
[M]+ 364.23565 194.0
[M]- 364.23675 194.0
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.