CID 1891863

618427-84-2

Structural Information

Molecular Formula
C21H25N3O2S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)C(C)C)SC(=C2C)C
InChI
InChI=1S/C21H25N3O2S2/c1-6-24-20(26)18-13(4)14(5)28-19(18)23-21(24)27-11-17(25)22-16-9-7-15(8-10-16)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,22,25)
InChIKey
MEHQMYUHVLYOAA-UHFFFAOYSA-N
Compound name
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.13882 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.14610 198.7
[M+Na]+ 438.12804 211.5
[M+NH4]+ 433.17264 205.5
[M+K]+ 454.10198 202.3
[M-H]- 414.13154 202.3
[M+Na-2H]- 436.11349 203.3
[M]+ 415.13827 202.5
[M]- 415.13937 202.5
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.