CID 3087034

Carbamic acid, (2-butoxyphenyl)-2-morpholinoethyl ester, monohydrochloride

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CCCCOC1=CC=CC=C1NC(=O)OCCN2CCOCC2
InChI
InChI=1S/C17H26N2O4/c1-2-3-11-22-16-7-5-4-6-15(16)18-17(20)23-14-10-19-8-12-21-13-9-19/h4-7H,2-3,8-14H2,1H3,(H,18,20)
InChIKey
CUQGZNNSUMPQIX-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl N-(2-butoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.18927 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19655 178.1
[M+Na]+ 345.17849 180.2
[M-H]- 321.18199 182.2
[M+NH4]+ 340.22309 188.6
[M+K]+ 361.15243 179.1
[M+H-H2O]+ 305.18653 168.2
[M+HCOO]- 367.18747 195.9
[M+CH3COO]- 381.20312 207.8
[M+Na-2H]- 343.16394 181.0
[M]+ 322.18872 178.9
[M]- 322.18982 178.9
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.