CID 37213

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

Structural Information

Molecular Formula
C16H17NO5
SMILES
CN(C)CCCOC(=O)C1=CC2=CC3=C(C=C2O1)OC=CO3
InChI
InChI=1S/C16H17NO5/c1-17(2)4-3-5-21-16(18)15-9-11-8-13-14(10-12(11)22-15)20-7-6-19-13/h6-10H,3-5H2,1-2H3
InChIKey
ANCPWXCILKNRTL-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl furo[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 169.2
[M+Na]+ 326.09992 177.3
[M-H]- 302.10342 178.1
[M+NH4]+ 321.14452 184.4
[M+K]+ 342.07386 179.3
[M+H-H2O]+ 286.10796 162.7
[M+HCOO]- 348.10890 190.5
[M+CH3COO]- 362.12455 208.6
[M+Na-2H]- 324.08537 176.4
[M]+ 303.11015 178.7
[M]- 303.11125 178.7
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.