CID 1550191

Nsc643177

Structural Information

Molecular Formula
C19H18O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/2\CC3=CC=CC=C3C2=O
InChI
InChI=1S/C19H18O4/c1-21-16-9-12(10-17(22-2)19(16)23-3)8-14-11-13-6-4-5-7-15(13)18(14)20/h4-10H,11H2,1-3H3/b14-8+
InChIKey
OFVGYTVXPWPBMR-RIYZIHGNSA-N
Compound name
(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

310.1205 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12778 170.8
[M+Na]+ 333.10972 180.3
[M-H]- 309.11322 179.2
[M+NH4]+ 328.15432 188.9
[M+K]+ 349.08366 176.2
[M+H-H2O]+ 293.11776 163.8
[M+HCOO]- 355.11870 193.8
[M+CH3COO]- 369.13435 206.7
[M+Na-2H]- 331.09517 172.4
[M]+ 310.11995 175.9
[M]- 310.12105 175.9
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.