CID 131752397

Chebi:174114

Structural Information

Molecular Formula
C20H22O2
SMILES
CC(=CCC1=C(C=C(C=C1OC)/C=C\C2=CC=CC=C2)O)C
InChI
InChI=1S/C20H22O2/c1-15(2)9-12-18-19(21)13-17(14-20(18)22-3)11-10-16-7-5-4-6-8-16/h4-11,13-14,21H,12H2,1-3H3/b11-10-
InChIKey
MPDBOKIOROLWQP-KHPPLWFESA-N
Compound name
3-methoxy-2-(3-methylbut-2-enyl)-5-[(Z)-2-phenylethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

294.162 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.169276 171.5
[M+Na]+ 317.151218 178.3
[M-H]- 293.154724 176.8
[M+NH4]+ 312.195823 186.6
[M+K]+ 333.125158 172.6
[M+H-H2O]+ 277.159260 164.0
[M+HCOO]- 339.160201 192.2
[M+CH3COO]- 353.175851 202.9
[M+Na-2H]- 315.136666 172.6
[M]+ 294.16145142 172.7
[M]- 294.16254858 172.7
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