CID 6451483

2,6-bis(4-ethylphenyl)-4-(4-(pentyloxy)phenyl)thiopyrylium perchlorate

Structural Information

Molecular Formula
C32H35OS
SMILES
CCCCCOC1=CC=C(C=C1)C2=CC(=[S+]C(=C2)C3=CC=C(C=C3)CC)C4=CC=C(C=C4)CC
InChI
InChI=1S/C32H35OS/c1-4-7-8-21-33-30-19-17-26(18-20-30)29-22-31(27-13-9-24(5-2)10-14-27)34-32(23-29)28-15-11-25(6-3)12-16-28/h9-20,22-23H,4-8,21H2,1-3H3/q+1
InChIKey
QXEDEEFQCULPDY-UHFFFAOYSA-N
Compound name
2,6-bis(4-ethylphenyl)-4-(4-pentoxyphenyl)thiopyrylium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

467.24088 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.24816 224.4
[M+Na]+ 490.23010 229.7
[M-H]- 466.23360 236.1
[M+NH4]+ 485.27470 232.4
[M+K]+ 506.20404 215.4
[M+H-H2O]+ 450.23814 214.9
[M+HCOO]- 512.23908 239.6
[M+CH3COO]- 526.25473 231.7
[M+Na-2H]- 488.21555 223.1
[M]+ 467.24033 227.7
[M]- 467.24143 227.7
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