CID 214516

Ammonium, (2,5-thiazolo(5,4-d)thiazolylenebis(4,4-dimethyltetramethylene))bis(trimethyl-diiodide

Structural Information

Molecular Formula
C22H42N4S2
SMILES
CC(C)(CCC[N+](C)(C)C)C1=NC2=C(S1)N=C(S2)C(C)(C)CCC[N+](C)(C)C
InChI
InChI=1S/C22H42N4S2/c1-21(2,13-11-15-25(5,6)7)19-23-17-18(27-19)24-20(28-17)22(3,4)14-12-16-26(8,9)10/h11-16H2,1-10H3/q+2
InChIKey
AZIOTUXMPPCNDW-UHFFFAOYSA-N
Compound name
trimethyl-[4-methyl-4-[5-[2-methyl-5-(trimethylazaniumyl)pentan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pentyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.2851 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.292376 197.9
[M+Na]+ 449.274318 203.9
[M-H]- 425.277824 202.7
[M+NH4]+ 444.318923 212.2
[M+K]+ 465.248258 190.2
[M+H-H2O]+ 409.282360 196.5
[M+HCOO]- 471.283301 205.9
[M+CH3COO]- 485.298951 226.2
[M+Na-2H]- 447.259766 206.2
[M]+ 426.28455142 204.3
[M]- 426.28564858 204.3
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.