CID 1829706

573933-77-4

Structural Information

Molecular Formula
C20H22N4O3S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)NC(=O)C)SC(=C2C)C
InChI
InChI=1S/C20H22N4O3S2/c1-5-24-19(27)17-11(2)12(3)29-18(17)23-20(24)28-10-16(26)22-15-8-6-14(7-9-15)21-13(4)25/h6-9H,5,10H2,1-4H3,(H,21,25)(H,22,26)
InChIKey
XBWCCNGTRURSQA-UHFFFAOYSA-N
Compound name
N-(4-acetamidophenyl)-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

430.11334 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.12062 200.7
[M+Na]+ 453.10256 211.8
[M+NH4]+ 448.14716 206.2
[M+K]+ 469.07650 203.8
[M-H]- 429.10606 203.7
[M+Na-2H]- 451.08801 204.9
[M]+ 430.11279 203.8
[M]- 430.11389 203.8
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.