CID 146035703

S-demethyl-deethylterbutryn

Structural Information

Molecular Formula
C7H13N5S
SMILES
CC(C)(C)NC1=NC(=S)N=C(N1)N
InChI
InChI=1S/C7H13N5S/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)
InChIKey
PCHYQLJMADFNMW-UHFFFAOYSA-N
Compound name
2-amino-6-(tert-butylamino)-1H-1,3,5-triazine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08917 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09645 144.8
[M+Na]+ 222.07839 153.9
[M-H]- 198.08189 143.4
[M+NH4]+ 217.12299 159.7
[M+K]+ 238.05233 148.9
[M+H-H2O]+ 182.08643 137.8
[M+HCOO]- 244.08737 159.2
[M+CH3COO]- 258.10302 185.2
[M+Na-2H]- 220.06384 149.1
[M]+ 199.08862 142.5
[M]- 199.08972 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.