CID 146599

116408-96-9

Structural Information

Molecular Formula
C22H25NO5
SMILES
CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)O)N5CCCC5
InChI
InChI=1S/C22H25NO5/c1-22(23-8-3-4-9-23)12-16(14-6-5-7-17(25-2)21(14)24)15-10-19-20(27-13-26-19)11-18(15)28-22/h5-7,10-11,16,24H,3-4,8-9,12-13H2,1-2H3
InChIKey
CRSJWEZUGYNWDK-UHFFFAOYSA-N
Compound name
2-methoxy-6-(6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

383.17328 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.180556 188.5
[M+Na]+ 406.162498 195.5
[M-H]- 382.166004 199.3
[M+NH4]+ 401.207103 201.5
[M+K]+ 422.136438 194.4
[M+H-H2O]+ 366.170540 181.7
[M+HCOO]- 428.171481 200.5
[M+CH3COO]- 442.187131 198.5
[M+Na-2H]- 404.147946 188.5
[M]+ 383.17273142 189.8
[M]- 383.17382858 189.8
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

patents stripe