CID 37235

35689-41-9

Structural Information

Molecular Formula
C17H19NO5
SMILES
CCN(CC)CCOC(=O)C1=CC2=CC3=C(C=C2O1)OC=CO3
InChI
InChI=1S/C17H19NO5/c1-3-18(4-2)5-6-22-17(19)16-10-12-9-14-15(11-13(12)23-16)21-8-7-20-14/h7-11H,3-6H2,1-2H3
InChIKey
AKWADDSNSUCQNY-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl furo[2,3-g][1,4]benzodioxine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1263 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13358 174.2
[M+Na]+ 340.11552 181.8
[M-H]- 316.11902 182.9
[M+NH4]+ 335.16012 188.8
[M+K]+ 356.08946 183.6
[M+H-H2O]+ 300.12356 167.4
[M+HCOO]- 362.12450 195.1
[M+CH3COO]- 376.14015 211.5
[M+Na-2H]- 338.10097 180.8
[M]+ 317.12575 183.9
[M]- 317.12685 183.9
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.