CID 47809

3-methyl-2-benzofurancarboxylic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C16H21NO3
SMILES
CCN(CC)CCOC(=O)C1=C(C2=CC=CC=C2O1)C
InChI
InChI=1S/C16H21NO3/c1-4-17(5-2)10-11-19-16(18)15-12(3)13-8-6-7-9-14(13)20-15/h6-9H,4-5,10-11H2,1-3H3
InChIKey
JZFWTZVHIUWKCI-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-methyl-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 165.8
[M+Na]+ 298.14135 173.6
[M-H]- 274.14485 172.5
[M+NH4]+ 293.18595 184.2
[M+K]+ 314.11529 172.9
[M+H-H2O]+ 258.14939 159.0
[M+HCOO]- 320.15033 190.4
[M+CH3COO]- 334.16598 205.5
[M+Na-2H]- 296.12680 169.6
[M]+ 275.15158 173.9
[M]- 275.15268 173.9
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.