CID 218477

40713-11-9

Structural Information

Molecular Formula
C16H21NO5
SMILES
CC1=C(OC2=CC(=C(C=C12)OC)OC)C(=O)OCCN(C)C
InChI
InChI=1S/C16H21NO5/c1-10-11-8-13(19-4)14(20-5)9-12(11)22-15(10)16(18)21-7-6-17(2)3/h8-9H,6-7H2,1-5H3
InChIKey
QTNDZSUEYHJTKS-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 5,6-dimethoxy-3-methyl-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.14197 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.149246 170.3
[M+Na]+ 330.131188 179.5
[M-H]- 306.134694 177.8
[M+NH4]+ 325.175793 187.8
[M+K]+ 346.105128 180.2
[M+H-H2O]+ 290.139230 163.7
[M+HCOO]- 352.140171 195.3
[M+CH3COO]- 366.155821 212.3
[M+Na-2H]- 328.116636 173.2
[M]+ 307.14142142 182.1
[M]- 307.14251858 182.1
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.