CID 934818

573670-03-8

Structural Information

Molecular Formula
C18H20N2OS2
SMILES
CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C)SC(=C2C)C
InChI
InChI=1S/C18H20N2OS2/c1-5-20-17(21)15-12(3)13(4)23-16(15)19-18(20)22-10-14-8-6-11(2)7-9-14/h6-9H,5,10H2,1-4H3
InChIKey
PHWSEIMAYZGTML-UHFFFAOYSA-N
Compound name
3-ethyl-5,6-dimethyl-2-[(4-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1017 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10898 177.1
[M+Na]+ 367.09092 190.8
[M-H]- 343.09442 183.7
[M+NH4]+ 362.13552 193.2
[M+K]+ 383.06486 183.0
[M+H-H2O]+ 327.09896 170.4
[M+HCOO]- 389.09990 189.6
[M+CH3COO]- 403.11555 189.2
[M+Na-2H]- 365.07637 175.6
[M]+ 344.10115 186.1
[M]- 344.10225 186.1
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.