CID 3471943

(5-methylsulfanyl-2-phenyl-oxazol-4-yl)-triphenyl-phosphonium, iodide

Structural Information

Molecular Formula
C28H23NOPS
SMILES
CSC1=C(N=C(O1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H23NOPS/c1-32-28-27(29-26(30-28)22-14-6-2-7-15-22)31(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
HWQJOWFLERUCQR-UHFFFAOYSA-N
Compound name
(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.1238 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.13108 212.6
[M+Na]+ 475.11302 218.2
[M-H]- 451.11652 226.1
[M+NH4]+ 470.15762 219.8
[M+K]+ 491.08696 206.6
[M+H-H2O]+ 435.12106 201.6
[M+HCOO]- 497.12200 232.9
[M+CH3COO]- 511.13765 222.9
[M+Na-2H]- 473.09847 212.4
[M]+ 452.12325 212.2
[M]- 452.12435 212.2
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.