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]+ 318.133576 174.6
[M+Na]+ 340.115518 183.2
[M-H]- 316.119024 183.7
[M+NH4]+ 335.160123 189.5
[M+K]+ 356.089458 185.0
[M+H-H2O]+ 300.123560 168.1
[M+HCOO]- 362.124501 195.5
[M+CH3COO]- 376.140151 212.8
[M+Na-2H]- 338.100966 180.6
[M]+ 317.12575142 184.8
[M]- 317.12684858 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.