CID 50063

2-(dimethylamino)ethyl m-(hexyloxy)carbanilate hydrochloride

Structural Information

Molecular Formula
C17H28N2O3
SMILES
CCCCCCOC1=CC=CC(=C1)NC(=O)OCCN(C)C
InChI
InChI=1S/C17H28N2O3/c1-4-5-6-7-12-21-16-10-8-9-15(14-16)18-17(20)22-13-11-19(2)3/h8-10,14H,4-7,11-13H2,1-3H3,(H,18,20)
InChIKey
MHDLOXRQTCHYGH-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(3-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.21 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.21728 177.0
[M+Na]+ 331.19922 185.5
[M+NH4]+ 326.24382 182.9
[M+K]+ 347.17316 179.3
[M-H]- 307.20272 178.8
[M+Na-2H]- 329.18467 181.1
[M]+ 308.20945 178.4
[M]- 308.21055 178.4
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.