CID 22274848

Gamma-diasarone

Structural Information

Molecular Formula
C24H32O6
SMILES
CCC1C(C(C2=C1C(=CC(=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C
InChI
InChI=1S/C24H32O6/c1-9-14-13(2)21(15-10-17(26-4)18(27-5)11-16(15)25-3)23-22(14)19(28-6)12-20(29-7)24(23)30-8/h10-14,21H,9H2,1-8H3
InChIKey
ZPOQFZFDKXZAGL-UHFFFAOYSA-N
Compound name
1-ethyl-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

416.21988 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.22716 200.1
[M+Na]+ 439.20910 209.5
[M-H]- 415.21260 208.8
[M+NH4]+ 434.25370 214.7
[M+K]+ 455.18304 207.5
[M+H-H2O]+ 399.21714 192.6
[M+HCOO]- 461.21808 220.9
[M+CH3COO]- 475.23373 233.0
[M+Na-2H]- 437.19455 196.8
[M]+ 416.21933 212.9
[M]- 416.22043 212.9
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