CID 146609

Mls002701869

Structural Information

Molecular Formula
C25H31NO6
SMILES
CC1C(C2=CC3=C(C=C2OC1(C)N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC
InChI
InChI=1S/C25H31NO6/c1-15-23(16-10-21(27-3)24(29-5)22(11-16)28-4)17-12-19-20(31-14-30-19)13-18(17)32-25(15,2)26-8-6-7-9-26/h10-13,15,23H,6-9,14H2,1-5H3
InChIKey
SMDGYUXIZWCCHF-UHFFFAOYSA-N
Compound name
1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

441.21515 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.22243 204.2
[M+Na]+ 464.20437 216.8
[M+NH4]+ 459.24897 212.7
[M+K]+ 480.17831 213.1
[M-H]- 440.20787 212.9
[M+Na-2H]- 462.18982 206.9
[M]+ 441.21460 208.7
[M]- 441.21570 208.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe