CID 36085

2-(diethylamino)ethyl o-butoxycarbanilate hydrochloride

Structural Information

Molecular Formula
C17H28N2O3
SMILES
CCCCOC1=CC=CC=C1NC(=O)OCCN(CC)CC
InChI
InChI=1S/C17H28N2O3/c1-4-7-13-21-16-11-9-8-10-15(16)18-17(20)22-14-12-19(5-2)6-3/h8-11H,4-7,12-14H2,1-3H3,(H,18,20)
InChIKey
IDFGHDAOKPNMHH-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-(2-butoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.21 Da
Monoisotopic Mass

4.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.