CID 1206735

335399-54-7

Structural Information

Molecular Formula
C19H21N3O3S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3OC)SC(=C2C)C
InChI
InChI=1S/C19H21N3O3S2/c1-5-22-18(24)16-11(2)12(3)27-17(16)21-19(22)26-10-15(23)20-13-8-6-7-9-14(13)25-4/h6-9H,5,10H2,1-4H3,(H,20,23)
InChIKey
HYXMHQSSFTUSNH-UHFFFAOYSA-N
Compound name
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.10245 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.10973 192.2
[M+Na]+ 426.09167 203.3
[M-H]- 402.09517 198.2
[M+NH4]+ 421.13627 204.8
[M+K]+ 442.06561 196.4
[M+H-H2O]+ 386.09971 184.8
[M+HCOO]- 448.10065 204.6
[M+CH3COO]- 462.11630 223.9
[M+Na-2H]- 424.07712 190.9
[M]+ 403.10190 202.0
[M]- 403.10300 202.0
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.