CID 7453679

5,6-dimethyl-3h,4h-thieno[2,3-d][1,2,3]triazin-4-one

Structural Information

Molecular Formula
C7H7N3OS
SMILES
CC1=C(SC2=C1C(=O)NN=N2)C
InChI
InChI=1S/C7H7N3OS/c1-3-4(2)12-7-5(3)6(11)8-10-9-7/h1-2H3,(H,8,9,11)
InChIKey
LBNCCMAHONWTQC-UHFFFAOYSA-N
Compound name
5,6-dimethyl-3H-thieno[2,3-d]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.03099 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03827 133.4
[M+Na]+ 204.02021 147.5
[M-H]- 180.02371 134.6
[M+NH4]+ 199.06481 153.3
[M+K]+ 219.99415 143.0
[M+H-H2O]+ 164.02825 127.6
[M+HCOO]- 226.02919 150.7
[M+CH3COO]- 240.04484 147.8
[M+Na-2H]- 202.00566 138.0
[M]+ 181.03044 137.7
[M]- 181.03154 137.7
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

patents stripe