CID 369612

Nsc641523

Structural Information

Molecular Formula
C22H26O5
SMILES
COC1CC(OC2=C1C=C(C=C2OC)CC=C)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C22H26O5/c1-6-7-14-10-16-19(24-3)13-18(27-22(16)21(11-14)26-5)15-8-9-17(23-2)20(12-15)25-4/h6,8-12,18-19H,1,7,13H2,2-5H3
InChIKey
FDEXWXVTMQWPDU-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-4,8-dimethoxy-6-prop-2-enyl-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.178 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.185276 189.1
[M+Na]+ 393.167218 196.8
[M-H]- 369.170724 197.3
[M+NH4]+ 388.211823 201.6
[M+K]+ 409.141158 194.8
[M+H-H2O]+ 353.175260 180.1
[M+HCOO]- 415.176201 207.6
[M+CH3COO]- 429.191851 221.2
[M+Na-2H]- 391.152666 190.7
[M]+ 370.17745142 196.2
[M]- 370.17854858 196.2
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

No patent data available for this compound.