CID 240920

6641-96-9

Structural Information

Molecular Formula
C16H10N2S2
SMILES
C1=CC=C(C=C1)C2=NC3=C(S2)N=C(S3)C4=CC=CC=C4
InChI
InChI=1S/C16H10N2S2/c1-3-7-11(8-4-1)13-17-15-16(19-13)18-14(20-15)12-9-5-2-6-10-12/h1-10H
InChIKey
GEUMATNMPIDQNQ-UHFFFAOYSA-N
Compound name
2,5-diphenyl-[1,3]thiazolo[5,4-d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

294.02853 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.035806 162.8
[M+Na]+ 317.017748 176.9
[M-H]- 293.021254 173.0
[M+NH4]+ 312.062353 182.0
[M+K]+ 332.991688 170.2
[M+H-H2O]+ 277.025790 157.0
[M+HCOO]- 339.026731 179.0
[M+CH3COO]- 353.042381 176.6
[M+Na-2H]- 315.003196 164.1
[M]+ 294.02798142 168.2
[M]- 294.02907858 168.2
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