CID 6436783

Nsc 86431

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]+ 295.13286 168.4
[M+Na]+ 317.11480 177.9
[M-H]- 293.11830 176.7
[M+NH4]+ 312.15940 187.1
[M+K]+ 333.08874 173.5
[M+H-H2O]+ 277.12284 161.2
[M+HCOO]- 339.12378 192.4
[M+CH3COO]- 353.13943 203.7
[M+Na-2H]- 315.10025 171.3
[M]+ 294.12503 173.7
[M]- 294.12613 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.