CID 1829675

573933-61-6

Structural Information

Molecular Formula
C20H24N4O2S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)N(C)C)SC(=C2C)C
InChI
InChI=1S/C20H24N4O2S2/c1-6-24-19(26)17-12(2)13(3)28-18(17)22-20(24)27-11-16(25)21-14-7-9-15(10-8-14)23(4)5/h7-10H,6,11H2,1-5H3,(H,21,25)
InChIKey
PWODJIJFXOFLNR-UHFFFAOYSA-N
Compound name
N-[4-(dimethylamino)phenyl]-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

416.13406 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.14134 197.9
[M+Na]+ 439.12328 210.1
[M+NH4]+ 434.16788 204.7
[M+K]+ 455.09722 201.3
[M-H]- 415.12678 202.2
[M+Na-2H]- 437.10873 203.1
[M]+ 416.13351 201.8
[M]- 416.13461 201.8
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.