CID 474316

Vismiaphenone f

Structural Information

Molecular Formula
C24H26O5
SMILES
CC(=CCC1=C(C(=C(C2=C1OC(C=C2)(C)C)OC)C(=O)C3=CC=C(C=C3)O)O)C
InChI
InChI=1S/C24H26O5/c1-14(2)6-11-17-21(27)19(20(26)15-7-9-16(25)10-8-15)23(28-5)18-12-13-24(3,4)29-22(17)18/h6-10,12-13,25,27H,11H2,1-5H3
InChIKey
DFBSAOVRYPVDJO-UHFFFAOYSA-N
Compound name
[7-hydroxy-5-methoxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-(4-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

394.178 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.18528 195.3
[M+Na]+ 417.16722 203.0
[M-H]- 393.17072 201.3
[M+NH4]+ 412.21182 207.3
[M+K]+ 433.14116 199.9
[M+H-H2O]+ 377.17526 187.6
[M+HCOO]- 439.17620 209.7
[M+CH3COO]- 453.19185 222.4
[M+Na-2H]- 415.15267 195.0
[M]+ 394.17745 199.4
[M]- 394.17855 199.4
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