CID 1712256

2,4,5-triphenylthiazole

Structural Information

Molecular Formula
C21H15NS
SMILES
C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H15NS/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15H
InChIKey
IGMDHDLFALHDPA-UHFFFAOYSA-N
Compound name
2,4,5-triphenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

313.09253 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09981 172.8
[M+Na]+ 336.08175 182.1
[M-H]- 312.08525 184.8
[M+NH4]+ 331.12635 188.0
[M+K]+ 352.05569 174.6
[M+H-H2O]+ 296.08979 163.8
[M+HCOO]- 358.09073 192.4
[M+CH3COO]- 372.10638 184.8
[M+Na-2H]- 334.06720 174.7
[M]+ 313.09198 173.6
[M]- 313.09308 173.6
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