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
2
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]+ 200.096446 144.8
[M+Na]+ 222.078388 153.9
[M-H]- 198.081894 143.4
[M+NH4]+ 217.122993 159.7
[M+K]+ 238.052328 148.9
[M+H-H2O]+ 182.086430 137.8
[M+HCOO]- 244.087371 159.2
[M+CH3COO]- 258.103021 185.2
[M+Na-2H]- 220.063836 149.1
[M]+ 199.08862142 142.5
[M]- 199.08971858 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.