CID 509243

Cudraphenone d

Structural Information

Molecular Formula
C23H26O5
SMILES
CC(=CCC1=C(C=CC=C1O)C(=O)C2=C(C=C(C(=C2O)CC=C(C)C)O)O)C
InChI
InChI=1S/C23H26O5/c1-13(2)8-10-15-16(6-5-7-18(15)24)22(27)21-20(26)12-19(25)17(23(21)28)11-9-14(3)4/h5-9,12,24-26,28H,10-11H2,1-4H3
InChIKey
RJRXEFUEAJKCQJ-UHFFFAOYSA-N
Compound name
[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

382.178 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.18528 191.9
[M+Na]+ 405.16722 197.7
[M-H]- 381.17072 193.6
[M+NH4]+ 400.21182 201.4
[M+K]+ 421.14116 192.2
[M+H-H2O]+ 365.17526 184.9
[M+HCOO]- 427.17620 205.6
[M+CH3COO]- 441.19185 216.7
[M+Na-2H]- 403.15267 185.8
[M]+ 382.17745 192.2
[M]- 382.17855 192.2
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