CID 442861

Isoficine

Structural Information

Molecular Formula
C20H19NO4
SMILES
CN1CCCC1C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC=CC=C4)O
InChI
InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)11-17-19(20(18)24)15(23)10-16(25-17)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22,24H,5,8-9H2,1H3
InChIKey
OTHGANFGYSWHJH-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6-(1-methylpyrrolidin-2-yl)-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

337.1314 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.138676 178.3
[M+Na]+ 360.120618 187.4
[M-H]- 336.124124 186.7
[M+NH4]+ 355.165223 190.9
[M+K]+ 376.094558 182.6
[M+H-H2O]+ 320.128660 170.1
[M+HCOO]- 382.129601 195.2
[M+CH3COO]- 396.145251 189.2
[M+Na-2H]- 358.106066 179.3
[M]+ 337.13085142 178.5
[M]- 337.13194858 178.5
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