CID 91689

Ethiozin

Structural Information

Molecular Formula
C9H16N4OS
SMILES
CCSC1=NN=C(C(=O)N1N)C(C)(C)C
InChI
InChI=1S/C9H16N4OS/c1-5-15-8-12-11-6(9(2,3)4)7(14)13(8)10/h5,10H2,1-4H3
InChIKey
ADZSGNDOZREKJK-UHFFFAOYSA-N
Compound name
4-amino-6-tert-butyl-3-ethylsulfanyl-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8489
Patents

228.10448 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.111756 152.5
[M+Na]+ 251.093698 162.8
[M-H]- 227.097204 152.7
[M+NH4]+ 246.138303 167.6
[M+K]+ 267.067638 158.9
[M+H-H2O]+ 211.101740 145.3
[M+HCOO]- 273.102681 167.0
[M+CH3COO]- 287.118331 191.9
[M+Na-2H]- 249.079146 155.1
[M]+ 228.10393142 155.4
[M]- 228.10502858 155.4
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

patents stripe