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 177.7
[M+Na]+ 333.14297 188.2
[M-H]- 309.14647 180.5
[M+NH4]+ 328.18757 196.7
[M+K]+ 349.11691 183.8
[M+H-H2O]+ 293.15101 172.8
[M+HCOO]- 355.15195 187.0
[M+CH3COO]- 369.16760 206.3
[M+Na-2H]- 331.12842 176.3
[M]+ 310.15320 186.4
[M]- 310.15430 186.4
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.