CID 42607665

Dihydrocordoin

Structural Information

Molecular Formula
C20H22O3
SMILES
CC(=CCOC1=CC(=C(C=C1)C(=O)CCC2=CC=CC=C2)O)C
InChI
InChI=1S/C20H22O3/c1-15(2)12-13-23-17-9-10-18(20(22)14-17)19(21)11-8-16-6-4-3-5-7-16/h3-7,9-10,12,14,22H,8,11,13H2,1-2H3
InChIKey
PYMCFHVCMWMRLO-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

310.1569 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16418 175.2
[M+Na]+ 333.14612 180.5
[M-H]- 309.14962 180.0
[M+NH4]+ 328.19072 189.0
[M+K]+ 349.12006 176.0
[M+H-H2O]+ 293.15416 167.2
[M+HCOO]- 355.15510 195.1
[M+CH3COO]- 369.17075 205.3
[M+Na-2H]- 331.13157 175.7
[M]+ 310.15635 176.9
[M]- 310.15745 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe