CID 6436783

Indene, 1-(3,4,5-trimethoxybenzylidene)-

Structural Information

Molecular Formula
C19H18O3
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C\2/C=CC3=CC=CC=C32
InChI
InChI=1S/C19H18O3/c1-20-17-11-13(12-18(21-2)19(17)22-3)10-15-9-8-14-6-4-5-7-16(14)15/h4-12H,1-3H3/b15-10-
InChIKey
VUWQTQJXINKVKM-GDNBJRDFSA-N
Compound name
(1Z)-1-[(3,4,5-trimethoxyphenyl)methylidene]indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.12558 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.132856 168.4
[M+Na]+ 317.114798 177.9
[M-H]- 293.118304 176.7
[M+NH4]+ 312.159403 187.1
[M+K]+ 333.088738 173.5
[M+H-H2O]+ 277.122840 161.2
[M+HCOO]- 339.123781 192.4
[M+CH3COO]- 353.139431 203.7
[M+Na-2H]- 315.100246 171.3
[M]+ 294.12503142 173.7
[M]- 294.12612858 173.7
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.