CID 3825293

618427-58-0

Structural Information

Molecular Formula
C18H18FN3O2S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3F)SC(=C2C)C
InChI
InChI=1S/C18H18FN3O2S2/c1-4-22-17(24)15-10(2)11(3)26-16(15)21-18(22)25-9-14(23)20-13-8-6-5-7-12(13)19/h5-8H,4,9H2,1-3H3,(H,20,23)
InChIKey
NVLKKBZGRPSFMN-UHFFFAOYSA-N
Compound name
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.08246 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.08974 186.6
[M+Na]+ 414.07168 198.7
[M-H]- 390.07518 191.5
[M+NH4]+ 409.11628 199.8
[M+K]+ 430.04562 190.8
[M+H-H2O]+ 374.07972 178.6
[M+HCOO]- 436.08066 198.1
[M+CH3COO]- 450.09631 221.5
[M+Na-2H]- 412.05713 185.0
[M]+ 391.08191 194.0
[M]- 391.08301 194.0
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.