CID 493818

8,8-dimethyl-3-(pyridine-4-carbonyl)pyrano[2,3-f]chromen-2-one

Structural Information

Molecular Formula
C20H15NO4
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C(=C3)C(=O)C4=CC=NC=C4)C
InChI
InChI=1S/C20H15NO4/c1-20(2)8-5-14-16(25-20)4-3-13-11-15(19(23)24-18(13)14)17(22)12-6-9-21-10-7-12/h3-11H,1-2H3
InChIKey
YYGKCYDNCKWNKV-UHFFFAOYSA-N
Compound name
8,8-dimethyl-3-(pyridine-4-carbonyl)pyrano[2,3-f]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.1001 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10738 177.0
[M+Na]+ 356.08932 187.6
[M-H]- 332.09282 186.1
[M+NH4]+ 351.13392 190.5
[M+K]+ 372.06326 185.4
[M+H-H2O]+ 316.09736 167.0
[M+HCOO]- 378.09830 194.0
[M+CH3COO]- 392.11395 188.8
[M+Na-2H]- 354.07477 184.9
[M]+ 333.09955 181.2
[M]- 333.10065 181.2
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

No patent data available for this compound.