CID 37215

Furo(2,3-g)-1,4-benzodioxin-7-carboxylic acid, 8-methyl-, dimethylaminoethyl ester, hydrochloride

Structural Information

Molecular Formula
C16H17NO5
SMILES
CC1=C(OC2=CC3=C(C=C12)OC=CO3)C(=O)OCCN(C)C
InChI
InChI=1S/C16H17NO5/c1-10-11-8-13-14(20-7-6-19-13)9-12(11)22-15(10)16(18)21-5-4-17(2)3/h6-9H,4-5H2,1-3H3
InChIKey
NJZMWCUHDVQHQA-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1107 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11798 167.2
[M+Na]+ 326.09992 180.1
[M+NH4]+ 321.14452 174.6
[M+K]+ 342.07386 177.3
[M-H]- 302.10342 173.5
[M+Na-2H]- 324.08537 170.0
[M]+ 303.11015 170.8
[M]- 303.11125 170.8
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.