CID 215426

35685-99-5

Structural Information

Molecular Formula
C18H23NO5
SMILES
CCN(CC)CCOC(=O)C1=C(C2=C(O1)C3=C(C=C2)OCCO3)C
InChI
InChI=1S/C18H23NO5/c1-4-19(5-2)8-9-23-18(20)15-12(3)13-6-7-14-17(16(13)24-15)22-11-10-21-14/h6-7H,4-5,8-11H2,1-3H3
InChIKey
SODVEITUGPNSOF-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 7-methyl-2,3-dihydrofuro[3,2-h][1,4]benzodioxine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.15762 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16490 180.3
[M+Na]+ 356.14684 187.4
[M-H]- 332.15034 188.8
[M+NH4]+ 351.19144 194.5
[M+K]+ 372.12078 189.0
[M+H-H2O]+ 316.15488 173.6
[M+HCOO]- 378.15582 199.4
[M+CH3COO]- 392.17147 216.1
[M+Na-2H]- 354.13229 184.8
[M]+ 333.15707 189.4
[M]- 333.15817 189.4
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.