CID 3087058

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

Structural Information

Molecular Formula
C21H34N2O4
SMILES
CCCCCCCCOC1=CC=CC(=C1)NC(=O)OCCN2CCOCC2
InChI
InChI=1S/C21H34N2O4/c1-2-3-4-5-6-7-14-26-20-10-8-9-19(18-20)22-21(24)27-17-13-23-11-15-25-16-12-23/h8-10,18H,2-7,11-17H2,1H3,(H,22,24)
InChIKey
IKCDONYUTQSBHU-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl N-(3-octoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.25186 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.25914 195.8
[M+Na]+ 401.24108 196.1
[M-H]- 377.24458 199.1
[M+NH4]+ 396.28568 203.9
[M+K]+ 417.21502 194.1
[M+H-H2O]+ 361.24912 185.1
[M+HCOO]- 423.25006 212.2
[M+CH3COO]- 437.26571 219.7
[M+Na-2H]- 399.22653 196.6
[M]+ 378.25131 198.0
[M]- 378.25241 198.0
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.