CID 37219

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

Structural Information

Molecular Formula
C17H19NO5
SMILES
CC1=C(OC2=CC3=C(C=C12)OC=CO3)C(=O)OCCCN(C)C
InChI
InChI=1S/C17H19NO5/c1-11-12-9-14-15(21-8-7-20-14)10-13(12)23-16(11)17(19)22-6-4-5-18(2)3/h7-10H,4-6H2,1-3H3
InChIKey
HHQKPCDGUOAAKM-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1263 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13358 174.6
[M+Na]+ 340.11552 183.2
[M-H]- 316.11902 183.7
[M+NH4]+ 335.16012 189.5
[M+K]+ 356.08946 185.0
[M+H-H2O]+ 300.12356 168.1
[M+HCOO]- 362.12450 195.5
[M+CH3COO]- 376.14015 212.8
[M+Na-2H]- 338.10097 180.6
[M]+ 317.12575 184.8
[M]- 317.12685 184.8
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.