CID 4419474

580-34-7

Structural Information

Molecular Formula
C26H23O4
SMILES
COC1=CC=C(C=C1)C2=CC(=[O+]C(=C2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C26H23O4/c1-27-22-10-4-18(5-11-22)21-16-25(19-6-12-23(28-2)13-7-19)30-26(17-21)20-8-14-24(29-3)15-9-20/h4-17H,1-3H3/q+1
InChIKey
CAVOMBYQSRVLNI-UHFFFAOYSA-N
Compound name
2,4,6-tris(4-methoxyphenyl)pyrylium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

399.15964 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16692 205.5
[M+Na]+ 422.14886 212.9
[M-H]- 398.15236 219.2
[M+NH4]+ 417.19346 214.0
[M+K]+ 438.12280 203.8
[M+H-H2O]+ 382.15690 196.1
[M+HCOO]- 444.15784 226.9
[M+CH3COO]- 458.17349 217.4
[M+Na-2H]- 420.13431 210.1
[M]+ 399.15909 209.6
[M]- 399.16019 209.6
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