CID 1995315

587005-30-9

Structural Information

Molecular Formula
C19H20N2OS2
SMILES
CCN1C(=O)C2=C(N=C1SC/C=C/C3=CC=CC=C3)SC(=C2C)C
InChI
InChI=1S/C19H20N2OS2/c1-4-21-18(22)16-13(2)14(3)24-17(16)20-19(21)23-12-8-11-15-9-6-5-7-10-15/h5-11H,4,12H2,1-3H3/b11-8+
InChIKey
RPYGXSJQYKENPA-DHZHZOJOSA-N
Compound name
3-ethyl-5,6-dimethyl-2-[(E)-3-phenylprop-2-enyl]sulfanylthieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1017 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10898 183.5
[M+Na]+ 379.09092 199.0
[M+NH4]+ 374.13552 192.1
[M+K]+ 395.06486 187.3
[M-H]- 355.09442 187.8
[M+Na-2H]- 377.07637 189.7
[M]+ 356.10115 188.1
[M]- 356.10225 188.1
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.