CID 6003241

Brn 2661231

Structural Information

Molecular Formula
C21H18O3
SMILES
CCOC(=O)/C(=C/C1=C2C=CC=CC2=CC3=CC=CC=C31)/C(=O)C
InChI
InChI=1S/C21H18O3/c1-3-24-21(23)19(14(2)22)13-20-17-10-6-4-8-15(17)12-16-9-5-7-11-18(16)20/h4-13H,3H2,1-2H3/b19-13+
InChIKey
CDIYMHBFBYSKRQ-CPNJWEJPSA-N
Compound name
ethyl (2E)-2-(anthracen-9-ylmethylidene)-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.12558 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13286 173.3
[M+Na]+ 341.11480 188.2
[M+NH4]+ 336.15940 181.4
[M+K]+ 357.08874 180.1
[M-H]- 317.11830 176.3
[M+Na-2H]- 339.10025 179.8
[M]+ 318.12503 176.3
[M]- 318.12613 176.3
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.