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]+ 427.29238 197.9
[M+Na]+ 449.27432 203.9
[M-H]- 425.27782 202.7
[M+NH4]+ 444.31892 212.2
[M+K]+ 465.24826 190.2
[M+H-H2O]+ 409.28236 196.5
[M+HCOO]- 471.28330 205.9
[M+CH3COO]- 485.29895 226.2
[M+Na-2H]- 447.25977 206.2
[M]+ 426.28455 204.3
[M]- 426.28565 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.