CID 2795244

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

Structural Information

Molecular Formula
C29H25NPS2
SMILES
CCSC1=C(N=C(S1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H25NPS2/c1-2-32-29-27(30-28(33-29)23-15-7-3-8-16-23)31(24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,2H2,1H3/q+1
InChIKey
CKGCCCVVEBIXDF-UHFFFAOYSA-N
Compound name
(5-ethylsulfanyl-2-phenyl-1,3-thiazol-4-yl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.1166 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.12388 212.6
[M+Na]+ 505.10582 218.6
[M-H]- 481.10932 225.0
[M+NH4]+ 500.15042 220.7
[M+K]+ 521.07976 204.4
[M+H-H2O]+ 465.11386 202.2
[M+HCOO]- 527.11480 229.1
[M+CH3COO]- 541.13045 227.3
[M+Na-2H]- 503.09127 210.9
[M]+ 482.11605 211.5
[M]- 482.11715 211.5
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.