CID 429905

Psorspermin

Structural Information

Molecular Formula
C19H16O6
SMILES
CC1(CO1)C2COC3=CC(=C4C(=C23)OC5=C(C4=O)C=CC=C5O)OC
InChI
InChI=1S/C19H16O6/c1-19(8-24-19)10-7-23-13-6-12(22-2)15-16(21)9-4-3-5-11(20)17(9)25-18(15)14(10)13/h3-6,10,20H,7-8H2,1-2H3
InChIKey
MHXHBIQQHVEKNK-UHFFFAOYSA-N
Compound name
10-hydroxy-5-methoxy-1-(2-methyloxiran-2-yl)-1,2-dihydrofuro[2,3-c]xanthen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

340.0947 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10198 172.9
[M+Na]+ 363.08392 187.5
[M-H]- 339.08742 185.1
[M+NH4]+ 358.12852 184.6
[M+K]+ 379.05786 186.7
[M+H-H2O]+ 323.09196 167.1
[M+HCOO]- 385.09290 189.7
[M+CH3COO]- 399.10855 186.2
[M+Na-2H]- 361.06937 180.6
[M]+ 340.09415 185.1
[M]- 340.09525 185.1
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