CID 131751410

Licarin c

Structural Information

Molecular Formula
C22H26O5
SMILES
C/C=C\C1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C22H26O5/c1-7-8-14-9-16-13(2)20(27-21(16)17(10-14)23-3)15-11-18(24-4)22(26-6)19(12-15)25-5/h7-13,20H,1-6H3/b8-7-
InChIKey
GPTWTKZDAAYJRN-FPLPWBNLSA-N
Compound name
7-methoxy-3-methyl-5-[(Z)-prop-1-enyl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.178 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.185276 188.9
[M+Na]+ 393.167218 198.5
[M-H]- 369.170724 198.1
[M+NH4]+ 388.211823 203.8
[M+K]+ 409.141158 196.2
[M+H-H2O]+ 353.175260 181.7
[M+HCOO]- 415.176201 209.8
[M+CH3COO]- 429.191851 221.2
[M+Na-2H]- 391.152666 188.4
[M]+ 370.17745142 198.7
[M]- 370.17854858 198.7
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

No patent data available for this compound.