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]+ 308.14925 170.3
[M+Na]+ 330.13119 179.5
[M-H]- 306.13469 177.8
[M+NH4]+ 325.17579 187.8
[M+K]+ 346.10513 180.2
[M+H-H2O]+ 290.13923 163.7
[M+HCOO]- 352.14017 195.3
[M+CH3COO]- 366.15582 212.3
[M+Na-2H]- 328.11664 173.2
[M]+ 307.14142 182.1
[M]- 307.14252 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.