CID 3087032

Carbamic acid, (4-propoxyphenyl)-, 2-(4-morpholinyl)ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C16H24N2O4
SMILES
CCCOC1=CC=C(C=C1)NC(=O)OCCN2CCOCC2
InChI
InChI=1S/C16H24N2O4/c1-2-10-21-15-5-3-14(4-6-15)17-16(19)22-13-9-18-7-11-20-12-8-18/h3-6H,2,7-13H2,1H3,(H,17,19)
InChIKey
BFYPPXYFOBPIHE-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl N-(4-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.1736 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 173.6
[M+Na]+ 331.16282 176.1
[M-H]- 307.16632 177.9
[M+NH4]+ 326.20742 184.7
[M+K]+ 347.13676 175.3
[M+H-H2O]+ 291.17086 163.9
[M+HCOO]- 353.17180 191.8
[M+CH3COO]- 367.18745 204.8
[M+Na-2H]- 329.14827 177.0
[M]+ 308.17305 174.1
[M]- 308.17415 174.1
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.