CID 10091530

Secundifloran

Structural Information

Molecular Formula
C21H22O7
SMILES
CC(C)(C=C)C1=C(C(=C(C(=C1)C2(COC3=C(C2=O)C=CC(=C3)O)O)O)O)OC
InChI
InChI=1S/C21H22O7/c1-5-20(2,3)14-9-13(16(23)17(24)18(14)27-4)21(26)10-28-15-8-11(22)6-7-12(15)19(21)25/h5-9,22-24,26H,1,10H2,2-4H3
InChIKey
AMFGHCXXVTVGNQ-UHFFFAOYSA-N
Compound name
3-[2,3-dihydroxy-4-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-3,7-dihydroxy-2H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.13657 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14385 189.1
[M+Na]+ 409.12579 197.5
[M-H]- 385.12929 193.0
[M+NH4]+ 404.17039 200.3
[M+K]+ 425.09973 194.9
[M+H-H2O]+ 369.13383 182.8
[M+HCOO]- 431.13477 200.7
[M+CH3COO]- 445.15042 215.3
[M+Na-2H]- 407.11124 192.2
[M]+ 386.13602 191.6
[M]- 386.13712 191.6
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

No patent data available for this compound.