CID 37211

35685-94-0

Structural Information

Molecular Formula
C17H17NO6
SMILES
C1COCCN1CCOC(=O)C2=CC3=CC4=C(C=C3O2)OC=CO4
InChI
InChI=1S/C17H17NO6/c19-17(23-6-3-18-1-4-20-5-2-18)16-10-12-9-14-15(11-13(12)24-16)22-8-7-21-14/h7-11H,1-6H2
InChIKey
MVFWDTQSFUUIPQ-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl furo[2,3-g][1,4]benzodioxine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1056 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11288 172.0
[M+Na]+ 354.09482 178.7
[M-H]- 330.09832 181.1
[M+NH4]+ 349.13942 182.1
[M+K]+ 370.06876 180.7
[M+H-H2O]+ 314.10286 164.3
[M+HCOO]- 376.10380 186.4
[M+CH3COO]- 390.11945 183.1
[M+Na-2H]- 352.08027 178.2
[M]+ 331.10505 176.8
[M]- 331.10615 176.8
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.