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

3
Patents

181.03099 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.038266 133.4
[M+Na]+ 204.020208 147.5
[M-H]- 180.023714 134.6
[M+NH4]+ 199.064813 153.3
[M+K]+ 219.994148 143.0
[M+H-H2O]+ 164.028250 127.6
[M+HCOO]- 226.029191 150.7
[M+CH3COO]- 240.044841 147.8
[M+Na-2H]- 202.005656 138.0
[M]+ 181.03044142 137.7
[M]- 181.03153858 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