CID 2060927

618427-52-4

Structural Information

Molecular Formula
C18H17FN2O2S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)F)SC(=C2C)C
InChI
InChI=1S/C18H17FN2O2S2/c1-4-21-17(23)15-10(2)11(3)25-16(15)20-18(21)24-9-14(22)12-5-7-13(19)8-6-12/h5-8H,4,9H2,1-3H3
InChIKey
DAECZYZDWBPSGN-UHFFFAOYSA-N
Compound name
3-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.07153 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.07881 182.6
[M+Na]+ 399.06075 195.6
[M-H]- 375.06425 187.7
[M+NH4]+ 394.10535 196.8
[M+K]+ 415.03469 187.9
[M+H-H2O]+ 359.06879 174.9
[M+HCOO]- 421.06973 193.3
[M+CH3COO]- 435.08538 193.7
[M+Na-2H]- 397.04620 179.9
[M]+ 376.07098 190.7
[M]- 376.07208 190.7
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

No patent data available for this compound.