CID 6052009

Derricin

Structural Information

Molecular Formula
C21H22O3
SMILES
CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=CC=C2)OC)C
InChI
InChI=1S/C21H22O3/c1-15(2)9-11-18-20(24-3)14-12-17(21(18)23)19(22)13-10-16-7-5-4-6-8-16/h4-10,12-14,23H,11H2,1-3H3/b13-10+
InChIKey
HMGRVRIPKPTWTO-JLHYYAGUSA-N
Compound name
(E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

40
Patents

322.1569 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16418 177.9
[M+Na]+ 345.14612 184.1
[M-H]- 321.14962 183.0
[M+NH4]+ 340.19072 191.5
[M+K]+ 361.12006 178.8
[M+H-H2O]+ 305.15416 170.1
[M+HCOO]- 367.15510 197.6
[M+CH3COO]- 381.17075 208.1
[M+Na-2H]- 343.13157 177.2
[M]+ 322.15635 179.5
[M]- 322.15745 179.5
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