CID 10429470

Calycopterin

Structural Information

Molecular Formula
C19H18O8
SMILES
COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)OC)OC
InChI
InChI=1S/C19H18O8/c1-23-16-12(21)11-13(22)17(24-2)19(26-4)18(25-3)15(11)27-14(16)9-5-7-10(20)8-6-9/h5-8,20,22H,1-4H3
InChIKey
PIUSRRUXGNYCSS-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-3,6,7,8-tetramethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

35
Patents

374.10016 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10744 182.4
[M+Na]+ 397.08938 193.4
[M-H]- 373.09288 190.0
[M+NH4]+ 392.13398 193.7
[M+K]+ 413.06332 192.9
[M+H-H2O]+ 357.09742 173.9
[M+HCOO]- 419.09836 202.1
[M+CH3COO]- 433.11401 217.1
[M+Na-2H]- 395.07483 185.7
[M]+ 374.09961 193.0
[M]- 374.10071 193.0
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