CID 2042567

335399-74-1

Structural Information

Molecular Formula
C18H17Cl2N3O2S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=CC(=C3)Cl)Cl)SC(=C2C)C
InChI
InChI=1S/C18H17Cl2N3O2S2/c1-4-23-17(25)15-9(2)10(3)27-16(15)22-18(23)26-8-14(24)21-13-7-11(19)5-6-12(13)20/h5-7H,4,8H2,1-3H3,(H,21,24)
InChIKey
OSQMUGNLGHSDEL-UHFFFAOYSA-N
Compound name
N-(2,5-dichlorophenyl)-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

441.01392 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.02120 203.0
[M+Na]+ 464.00314 218.3
[M+NH4]+ 459.04774 210.6
[M+K]+ 479.97708 207.2
[M-H]- 440.00664 206.7
[M+Na-2H]- 461.98859 207.7
[M]+ 441.01337 207.8
[M]- 441.01447 207.8
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.