CID 16227106

2-{5,6-dimethyl-4-oxo-3h,4h-thieno[2,3-d]pyrimidin-3-yl}ethane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C10H11FN2O3S2
SMILES
CC1=C(SC2=C1C(=O)N(C=N2)CCS(=O)(=O)F)C
InChI
InChI=1S/C10H11FN2O3S2/c1-6-7(2)17-9-8(6)10(14)13(5-12-9)3-4-18(11,15)16/h5H,3-4H2,1-2H3
InChIKey
BOLZKOZZBLGOBP-UHFFFAOYSA-N
Compound name
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0195 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.02678 158.8
[M+Na]+ 313.00872 172.8
[M-H]- 289.01222 161.0
[M+NH4]+ 308.05332 176.4
[M+K]+ 328.98266 167.3
[M+H-H2O]+ 273.01676 152.8
[M+HCOO]- 335.01770 170.4
[M+CH3COO]- 349.03335 196.7
[M+Na-2H]- 310.99417 160.5
[M]+ 290.01895 166.5
[M]- 290.02005 166.5
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

No patent data available for this compound.