CID 4465027

10-(3,4-dimethoxybenzylidene)-9-anthrone

Structural Information

Molecular Formula
C23H18O3
SMILES
COC1=C(C=C(C=C1)C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42)OC
InChI
InChI=1S/C23H18O3/c1-25-21-12-11-15(14-22(21)26-2)13-20-16-7-3-5-9-18(16)23(24)19-10-6-4-8-17(19)20/h3-14H,1-2H3
InChIKey
AIYFOFIPZAVACA-UHFFFAOYSA-N
Compound name
10-[(3,4-dimethoxyphenyl)methylidene]anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

342.12558 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13286 181.1
[M+Na]+ 365.11480 190.1
[M-H]- 341.11830 189.7
[M+NH4]+ 360.15940 196.5
[M+K]+ 381.08874 184.0
[M+H-H2O]+ 325.12284 171.6
[M+HCOO]- 387.12378 201.0
[M+CH3COO]- 401.13943 192.3
[M+Na-2H]- 363.10025 185.7
[M]+ 342.12503 183.6
[M]- 342.12613 183.6
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

patents stripe