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

3
Patents

337.1314 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 178.3
[M+Na]+ 360.12062 187.4
[M-H]- 336.12412 186.7
[M+NH4]+ 355.16522 190.9
[M+K]+ 376.09456 182.6
[M+H-H2O]+ 320.12866 170.1
[M+HCOO]- 382.12960 195.2
[M+CH3COO]- 396.14525 189.2
[M+Na-2H]- 358.10607 179.3
[M]+ 337.13085 178.5
[M]- 337.13195 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