CID 2041273

573706-62-4

Structural Information

Molecular Formula
C19H19Br2N3O2S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3Br)C)Br)SC(=C2C)C
InChI
InChI=1S/C19H19Br2N3O2S2/c1-5-24-18(26)15-10(3)11(4)28-17(15)23-19(24)27-8-14(25)22-16-12(20)6-9(2)7-13(16)21/h6-7H,5,8H2,1-4H3,(H,22,25)
InChIKey
QTNZPSNSABVRMZ-UHFFFAOYSA-N
Compound name
N-(2,6-dibromo-4-methylphenyl)-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

542.9285 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.93578 163.9
[M+Na]+ 565.91772 177.8
[M-H]- 541.92122 172.9
[M+NH4]+ 560.96232 177.4
[M+K]+ 581.89166 159.9
[M+H-H2O]+ 525.92576 171.8
[M+HCOO]- 587.92670 171.6
[M+CH3COO]- 601.94235 239.3
[M+Na-2H]- 563.90317 166.6
[M]+ 542.92795 204.5
[M]- 542.92905 204.5
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.