CID 3603393

2-sulfanyl-3h,4h-thieno[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C6H4N2OS2
SMILES
C1=CSC2=C1C(=O)NC(=S)N2
InChI
InChI=1S/C6H4N2OS2/c9-4-3-1-2-11-5(3)8-6(10)7-4/h1-2H,(H2,7,8,9,10)
InChIKey
SJFBCDCLMGDIRN-UHFFFAOYSA-N
Compound name
2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

20
Patents

183.9765 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.98378 130.1
[M+Na]+ 206.96572 143.8
[M-H]- 182.96922 130.8
[M+NH4]+ 202.01032 150.4
[M+K]+ 222.93966 137.0
[M+H-H2O]+ 166.97376 125.8
[M+HCOO]- 228.97470 142.2
[M+CH3COO]- 242.99035 143.8
[M+Na-2H]- 204.95117 133.5
[M]+ 183.97595 131.7
[M]- 183.97705 131.7
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