CID 2737178

78904-85-5

Structural Information

Molecular Formula
C20H17O3
SMILES
CCOC(=O)C1=CC(=CC(=[O+]1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H17O3/c1-2-22-20(21)19-14-17(15-9-5-3-6-10-15)13-18(23-19)16-11-7-4-8-12-16/h3-14H,2H2,1H3/q+1
InChIKey
IJYIHRKIRUNVTH-UHFFFAOYSA-N
Compound name
ethyl 4,6-diphenylpyrylium-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

305.11777 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12505 176.3
[M+Na]+ 328.10699 183.0
[M-H]- 304.11049 186.9
[M+NH4]+ 323.15159 188.8
[M+K]+ 344.08093 174.5
[M+H-H2O]+ 288.11503 169.5
[M+HCOO]- 350.11597 198.2
[M+CH3COO]- 364.13162 197.2
[M+Na-2H]- 326.09244 183.3
[M]+ 305.11722 177.6
[M]- 305.11832 177.6
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

patents stripe