CID 214520

Ammonium, (2,5-thiazolo(5,4-d)thiazolylenebis(3,3-dimethyltrimethylene))bis(trimethyl-, diiodide

Structural Information

Molecular Formula
C20H38N4S2
SMILES
CC(C)(CC[N+](C)(C)C)C1=NC2=C(S1)N=C(S2)C(C)(C)CC[N+](C)(C)C
InChI
InChI=1S/C20H38N4S2/c1-19(2,11-13-23(5,6)7)17-21-15-16(25-17)22-18(26-15)20(3,4)12-14-24(8,9)10/h11-14H2,1-10H3/q+2
InChIKey
XWXRWZLCGUOLDI-UHFFFAOYSA-N
Compound name
trimethyl-[3-methyl-3-[5-[2-methyl-4-(trimethylazaniumyl)butan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]butyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.25378 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.26106 189.4
[M+Na]+ 421.24300 196.3
[M-H]- 397.24650 194.5
[M+NH4]+ 416.28760 204.8
[M+K]+ 437.21694 183.0
[M+H-H2O]+ 381.25104 188.4
[M+HCOO]- 443.25198 198.1
[M+CH3COO]- 457.26763 220.6
[M+Na-2H]- 419.22845 198.5
[M]+ 398.25323 195.1
[M]- 398.25433 195.1
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.