CID 6483318

5-o-methylmammeisin

Structural Information

Molecular Formula
C26H28O5
SMILES
CC(C)CC(=O)C1=C(C2=C(C(=C1O)CC=C(C)C)OC(=O)C=C2C3=CC=CC=C3)OC
InChI
InChI=1S/C26H28O5/c1-15(2)11-12-18-24(29)23(20(27)13-16(3)4)26(30-5)22-19(14-21(28)31-25(18)22)17-9-7-6-8-10-17/h6-11,14,16,29H,12-13H2,1-5H3
InChIKey
NIVXDXNXQGFSQS-UHFFFAOYSA-N
Compound name
7-hydroxy-5-methoxy-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

420.19366 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.20094 202.9
[M+Na]+ 443.18288 210.0
[M-H]- 419.18638 210.0
[M+NH4]+ 438.22748 212.3
[M+K]+ 459.15682 206.7
[M+H-H2O]+ 403.19092 194.1
[M+HCOO]- 465.19186 218.7
[M+CH3COO]- 479.20751 230.9
[M+Na-2H]- 441.16833 200.4
[M]+ 420.19311 209.1
[M]- 420.19421 209.1
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.