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]+ 365.27986 195.7
[M+Na]+ 387.26180 197.1
[M-H]- 363.26530 198.7
[M+NH4]+ 382.30640 208.2
[M+K]+ 403.23574 195.2
[M+H-H2O]+ 347.26984 186.3
[M+HCOO]- 409.27078 218.6
[M+CH3COO]- 423.28643 226.4
[M+Na-2H]- 385.24725 195.3
[M]+ 364.27203 202.8
[M]- 364.27313 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.