CID 5468557

Nsc671634

Structural Information

Molecular Formula
C21H22O6
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/2\CC3=CC(=C(C=C3C2=O)OC)OC
InChI
InChI=1S/C21H22O6/c1-23-16-10-13-9-14(20(22)15(13)11-17(16)24-2)6-12-7-18(25-3)21(27-5)19(8-12)26-4/h6-8,10-11H,9H2,1-5H3/b14-6+
InChIKey
XGOGZOBCYBIIOZ-MKMNVTDBSA-N
Compound name
(2E)-5,6-dimethoxy-2-[(3,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

370.14163 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14891 184.6
[M+Na]+ 393.13085 194.4
[M-H]- 369.13435 193.3
[M+NH4]+ 388.17545 200.5
[M+K]+ 409.10479 191.6
[M+H-H2O]+ 353.13889 177.3
[M+HCOO]- 415.13983 207.0
[M+CH3COO]- 429.15548 219.6
[M+Na-2H]- 391.11630 184.2
[M]+ 370.14108 194.1
[M]- 370.14218 194.1
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