CID 1989675

577962-34-6

Structural Information

Molecular Formula
C18H17F2N3O2S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3)F)F)SC(=C2C)C
InChI
InChI=1S/C18H17F2N3O2S2/c1-4-23-17(25)15-9(2)10(3)27-16(15)22-18(23)26-8-14(24)21-13-6-5-11(19)7-12(13)20/h5-7H,4,8H2,1-3H3,(H,21,24)
InChIKey
OLLDSGKLVLVVEV-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.07303 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.08031 188.8
[M+Na]+ 432.06225 201.5
[M-H]- 408.06575 192.5
[M+NH4]+ 427.10685 201.4
[M+K]+ 448.03619 193.1
[M+H-H2O]+ 392.07029 179.9
[M+HCOO]- 454.07123 199.1
[M+CH3COO]- 468.08688 225.3
[M+Na-2H]- 430.04770 186.0
[M]+ 409.07248 195.5
[M]- 409.07358 195.5
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.