CID 11741814

3-methoxytangeretin

Structural Information

Molecular Formula
C21H22O8
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
InChI
InChI=1S/C21H22O8/c1-23-12-9-7-11(8-10-12)15-18(25-3)14(22)13-16(24-2)19(26-4)21(28-6)20(27-5)17(13)29-15/h7-10H,1-6H3
InChIKey
OBIOZWXPDBWYHB-UHFFFAOYSA-N
Compound name
3,5,6,7,8-pentamethoxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3720
Patents

402.13147 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.13875 190.8
[M+Na]+ 425.12069 201.8
[M-H]- 401.12419 200.7
[M+NH4]+ 420.16529 202.2
[M+K]+ 441.09463 202.4
[M+H-H2O]+ 385.12873 181.3
[M+HCOO]- 447.12967 212.8
[M+CH3COO]- 461.14532 227.1
[M+Na-2H]- 423.10614 193.9
[M]+ 402.13092 205.5
[M]- 402.13202 205.5
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