CID 2830297

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

Structural Information

Molecular Formula
C26H27NOPS
SMILES
CC(C)(C)C1=NC(=C(O1)SC)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H27NOPS/c1-26(2,3)25-27-23(24(28-25)30-4)29(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,1-4H3/q+1
InChIKey
OZYRZHIEYGTVTB-UHFFFAOYSA-N
Compound name
(2-tert-butyl-5-methylsulfanyl-1,3-oxazol-4-yl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

432.1551 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.16238 208.8
[M+Na]+ 455.14432 214.5
[M-H]- 431.14782 219.9
[M+NH4]+ 450.18892 217.8
[M+K]+ 471.11826 204.2
[M+H-H2O]+ 415.15236 199.2
[M+HCOO]- 477.15330 227.5
[M+CH3COO]- 491.16895 220.5
[M+Na-2H]- 453.12977 209.5
[M]+ 432.15455 210.3
[M]- 432.15565 210.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe