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 197.0
[M+Na]+ 439.12328 207.1
[M-H]- 415.12678 204.1
[M+NH4]+ 434.16788 209.4
[M+K]+ 455.09722 200.6
[M+H-H2O]+ 399.13132 189.0
[M+HCOO]- 461.13226 210.1
[M+CH3COO]- 475.14791 232.8
[M+Na-2H]- 437.10873 195.5
[M]+ 416.13351 206.4
[M]- 416.13461 206.4
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.