CID 4989285

618427-80-8

Structural Information

Molecular Formula
C21H25N3O2S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3C)C)C)SC(=C2C)C
InChI
InChI=1S/C21H25N3O2S2/c1-7-24-20(26)17-14(5)15(6)28-19(17)23-21(24)27-10-16(25)22-18-12(3)8-11(2)9-13(18)4/h8-9H,7,10H2,1-6H3,(H,22,25)
InChIKey
UNNVCKITVNNYJX-UHFFFAOYSA-N
Compound name
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)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 202.0
[M+Na]+ 438.12804 215.8
[M+NH4]+ 433.17264 208.9
[M+K]+ 454.10198 206.0
[M-H]- 414.13154 205.9
[M+Na-2H]- 436.11349 206.1
[M]+ 415.13827 206.1
[M]- 415.13937 206.1
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.