CID 56538

Carbanilic acid, n-(2-(dimethylamino)ethyl)-, ethyl ester

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CCOC(=O)N(CCN(C)C)C1=CC=CC=C1
InChI
InChI=1S/C13H20N2O2/c1-4-17-13(16)15(11-10-14(2)3)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3
InChIKey
FHDLFTMHNGXEKW-UHFFFAOYSA-N
Compound name
ethyl N-[2-(dimethylamino)ethyl]-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.159756 156.9
[M+Na]+ 259.141698 161.2
[M-H]- 235.145204 162.7
[M+NH4]+ 254.186303 175.2
[M+K]+ 275.115638 162.1
[M+H-H2O]+ 219.149740 149.1
[M+HCOO]- 281.150681 182.9
[M+CH3COO]- 295.166331 202.8
[M+Na-2H]- 257.127146 160.7
[M]+ 236.15193142 160.7
[M]- 236.15302858 160.7
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.