CID 118455

Brn 1130203

Structural Information

Molecular Formula
C16H26N2S2
SMILES
CCCC(C)(C)C1=NC2=C(S1)N=C(S2)C(C)(C)CCC
InChI
InChI=1S/C16H26N2S2/c1-7-9-15(3,4)13-17-11-12(19-13)18-14(20-11)16(5,6)10-8-2/h7-10H2,1-6H3
InChIKey
VMPAHPDCSQOZIS-UHFFFAOYSA-N
Compound name
2,5-bis(2-methylpentan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.15375 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16103 179.2
[M+Na]+ 333.14297 189.0
[M+NH4]+ 328.18757 187.4
[M+K]+ 349.11691 182.1
[M-H]- 309.14647 179.6
[M+Na-2H]- 331.12842 181.2
[M]+ 310.15320 181.8
[M]- 310.15430 181.8
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.