CID 3794660

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

Structural Information

Molecular Formula
C23H21NOPS
SMILES
CC1=NC(=C(O1)SC)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H21NOPS/c1-18-24-22(23(25-18)27-2)26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,1-2H3/q+1
InChIKey
FGYUWDLMYHXKDY-UHFFFAOYSA-N
Compound name
(2-methyl-5-methylsulfanyl-1,3-oxazol-4-yl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.10815 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.11543 195.2
[M+Na]+ 413.09737 202.0
[M-H]- 389.10087 206.5
[M+NH4]+ 408.14197 205.8
[M+K]+ 429.07131 191.5
[M+H-H2O]+ 373.10541 185.7
[M+HCOO]- 435.10635 216.4
[M+CH3COO]- 449.12200 212.1
[M+Na-2H]- 411.08282 195.8
[M]+ 390.10760 196.4
[M]- 390.10870 196.4
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.