CID 4137481

(5-methylselanyl-2-phenyl-thiazol-4-yl)-triphenyl-phosphonium, iodide

Structural Information

Molecular Formula
C28H23NPSSe
SMILES
C[Se]C1=C(N=C(S1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H23NPSSe/c1-32-28-26(29-27(31-28)22-14-6-2-7-15-22)30(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3/q+1
InChIKey
KLGHIHJVICZQMZ-UHFFFAOYSA-N
Compound name
(5-methylselanyl-2-phenyl-1,3-thiazol-4-yl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.0454 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.05268 212.3
[M+Na]+ 539.03462 232.1
[M+NH4]+ 534.07922 223.0
[M+K]+ 555.00856 220.4
[M-H]- 515.03812 225.1
[M+Na-2H]- 537.02007 228.2
[M]+ 516.04485 220.1
[M]- 516.04595 220.1
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.