CID 146604

116409-04-2

Structural Information

Molecular Formula
C24H29NO6
SMILES
CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC
InChI
InChI=1S/C24H29NO6/c1-14-22(15-9-20(26-2)23(28-4)21(10-15)27-3)16-11-18-19(30-13-29-18)12-17(16)31-24(14)25-7-5-6-8-25/h9-12,14,22,24H,5-8,13H2,1-4H3
InChIKey
LRLXUQCQYHLPOQ-UHFFFAOYSA-N
Compound name
1-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

427.1995 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.20678 202.1
[M+Na]+ 450.18872 208.7
[M-H]- 426.19222 214.1
[M+NH4]+ 445.23332 212.2
[M+K]+ 466.16266 208.7
[M+H-H2O]+ 410.19676 195.0
[M+HCOO]- 472.19770 214.8
[M+CH3COO]- 486.21335 211.7
[M+Na-2H]- 448.17417 199.1
[M]+ 427.19895 207.5
[M]- 427.20005 207.5
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