CID 3087064

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

Structural Information

Molecular Formula
C22H36N2O4
SMILES
CCCCCCCCCOC1=CC=CC(=C1)NC(=O)OCCN2CCOCC2
InChI
InChI=1S/C22H36N2O4/c1-2-3-4-5-6-7-8-15-27-21-11-9-10-20(19-21)23-22(25)28-18-14-24-12-16-26-17-13-24/h9-11,19H,2-8,12-18H2,1H3,(H,23,25)
InChIKey
NGXMCPPEEISDPD-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.26752 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.27480 200.2
[M+Na]+ 415.25674 200.0
[M-H]- 391.26024 203.3
[M+NH4]+ 410.30134 207.7
[M+K]+ 431.23068 197.9
[M+H-H2O]+ 375.26478 189.3
[M+HCOO]- 437.26572 216.3
[M+CH3COO]- 451.28137 222.6
[M+Na-2H]- 413.24219 200.5
[M]+ 392.26697 202.7
[M]- 392.26807 202.7
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.