CID 4451100

62497-14-7

Structural Information

Molecular Formula
C20H27O2
SMILES
CC(C)(C)C1=CC(=CC(=[O+]1)C(C)(C)C)C2=CC=C(C=C2)OC
InChI
InChI=1S/C20H27O2/c1-19(2,3)17-12-15(13-18(22-17)20(4,5)6)14-8-10-16(21-7)11-9-14/h8-13H,1-7H3/q+1
InChIKey
JZZAHBWAFJPFJT-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(4-methoxyphenyl)pyrylium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.2011 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.20838 174.2
[M+Na]+ 322.19032 182.0
[M-H]- 298.19382 182.4
[M+NH4]+ 317.23492 188.8
[M+K]+ 338.16426 174.7
[M+H-H2O]+ 282.19836 170.1
[M+HCOO]- 344.19930 192.7
[M+CH3COO]- 358.21495 200.5
[M+Na-2H]- 320.17577 182.2
[M]+ 299.20055 177.8
[M]- 299.20165 177.8
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.