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]+ 237.15976 156.9
[M+Na]+ 259.14170 161.2
[M-H]- 235.14520 162.7
[M+NH4]+ 254.18630 175.2
[M+K]+ 275.11564 162.1
[M+H-H2O]+ 219.14974 149.1
[M+HCOO]- 281.15068 182.9
[M+CH3COO]- 295.16633 202.8
[M+Na-2H]- 257.12715 160.7
[M]+ 236.15193 160.7
[M]- 236.15303 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.