CID 5379033

Dehydrodiisoeugenol

Structural Information

Molecular Formula
C20H22O4
SMILES
C/C=C/C1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+
InChIKey
ITDOFWOJEDZPCF-AATRIKPKSA-N
Compound name
2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

72
Patents

326.1518 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.159076 177.3
[M+Na]+ 349.141018 186.8
[M-H]- 325.144524 185.2
[M+NH4]+ 344.185623 193.3
[M+K]+ 365.114958 183.3
[M+H-H2O]+ 309.149060 170.8
[M+HCOO]- 371.150001 197.3
[M+CH3COO]- 385.165651 209.5
[M+Na-2H]- 347.126466 178.0
[M]+ 326.15125142 182.8
[M]- 326.15234858 182.8
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