CID 44257416

Schembl2988639

Structural Information

Molecular Formula
C19H18O9
SMILES
COC1=CC(=C2C(=C1)OC3C(OC4=CC(=C(C=C4C3(C2=O)O)OC)OC)O)O
InChI
InChI=1S/C19H18O9/c1-24-8-4-10(20)15-14(5-8)27-17-18(22)28-11-7-13(26-3)12(25-2)6-9(11)19(17,23)16(15)21/h4-7,17-18,20,22-23H,1-3H3
InChIKey
CJIMGNHPOXRALG-UHFFFAOYSA-N
Compound name
6,11,12a-trihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

390.0951 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.10238 184.3
[M+Na]+ 413.08432 194.0
[M-H]- 389.08782 188.9
[M+NH4]+ 408.12892 196.5
[M+K]+ 429.05826 194.6
[M+H-H2O]+ 373.09236 176.7
[M+HCOO]- 435.09330 195.0
[M+CH3COO]- 449.10895 218.9
[M+Na-2H]- 411.06977 190.7
[M]+ 390.09455 191.7
[M]- 390.09565 191.7
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