CID 633124

Scaposin

Structural Information

Molecular Formula
C19H18O9
SMILES
COC1=CC(=CC(=C1OC)O)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O
InChI
InChI=1S/C19H18O9/c1-24-12-6-8(5-10(21)16(12)25-2)11-7-9(20)13-14(22)18(26-3)15(23)19(27-4)17(13)28-11/h5-7,21-23H,1-4H3
InChIKey
NYKXAPFHNLNAIJ-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,8-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

390.0951 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.10238 185.4
[M+Na]+ 413.08432 196.3
[M-H]- 389.08782 191.9
[M+NH4]+ 408.12892 195.3
[M+K]+ 429.05826 196.1
[M+H-H2O]+ 373.09236 176.9
[M+HCOO]- 435.09330 203.6
[M+CH3COO]- 449.10895 219.0
[M+Na-2H]- 411.06977 187.7
[M]+ 390.09455 196.0
[M]- 390.09565 196.0
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