CID 72344

Nobiletin

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

662
References

4897
Patents

402.13147 Da
Monoisotopic Mass

3.0
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