CID 50083

2-(dimethylamino)ethyl o-decyloxycarbanilate hydrochloride

Structural Information

Molecular Formula
C21H36N2O3
SMILES
CCCCCCCCCCOC1=CC=CC=C1NC(=O)OCCN(C)C
InChI
InChI=1S/C21H36N2O3/c1-4-5-6-7-8-9-10-13-17-25-20-15-12-11-14-19(20)22-21(24)26-18-16-23(2)3/h11-12,14-15H,4-10,13,16-18H2,1-3H3,(H,22,24)
InChIKey
GOCWHSDLHQEZNU-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(2-decoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.27258 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.279856 195.7
[M+Na]+ 387.261798 197.1
[M-H]- 363.265304 198.7
[M+NH4]+ 382.306403 208.2
[M+K]+ 403.235738 195.2
[M+H-H2O]+ 347.269840 186.3
[M+HCOO]- 409.270781 218.6
[M+CH3COO]- 423.286431 226.4
[M+Na-2H]- 385.247246 195.3
[M]+ 364.27203142 202.8
[M]- 364.27312858 202.8
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.