CID 6438503

4-hydroxyderricin

Structural Information

Molecular Formula
C21H22O4
SMILES
CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)C
InChI
InChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+
InChIKey
XDKYBPGIBVMHHB-KPKJPENVSA-N
Compound name
(E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

166
Patents

338.1518 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15908 180.8
[M+Na]+ 361.14102 187.3
[M-H]- 337.14452 184.9
[M+NH4]+ 356.18562 193.2
[M+K]+ 377.11496 182.0
[M+H-H2O]+ 321.14906 173.2
[M+HCOO]- 383.15000 199.2
[M+CH3COO]- 397.16565 209.2
[M+Na-2H]- 359.12647 179.1
[M]+ 338.15125 182.5
[M]- 338.15235 182.5
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