CID 35779

Carbanilic acid, m-butoxy-, 2-(diethylamino)ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C17H28N2O3
SMILES
CCCCOC1=CC=CC(=C1)NC(=O)OCCN(CC)CC
InChI
InChI=1S/C17H28N2O3/c1-4-7-12-21-16-10-8-9-15(14-16)18-17(20)22-13-11-19(5-2)6-3/h8-10,14H,4-7,11-13H2,1-3H3,(H,18,20)
InChIKey
KYCZTSBRJMLHLQ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-(3-butoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.21 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.217276 177.6
[M+Na]+ 331.199218 180.8
[M-H]- 307.202724 181.4
[M+NH4]+ 326.243823 192.4
[M+K]+ 347.173158 179.8
[M+H-H2O]+ 291.207260 169.0
[M+HCOO]- 353.208201 201.8
[M+CH3COO]- 367.223851 214.6
[M+Na-2H]- 329.184666 179.3
[M]+ 308.20945142 183.3
[M]- 308.21054858 183.3
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.