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 181.3
[M+Na]+ 379.09092 194.2
[M-H]- 355.09442 187.4
[M+NH4]+ 374.13552 196.6
[M+K]+ 395.06486 185.6
[M+H-H2O]+ 339.09896 174.3
[M+HCOO]- 401.09990 193.8
[M+CH3COO]- 415.11555 192.8
[M+Na-2H]- 377.07637 179.9
[M]+ 356.10115 189.5
[M]- 356.10225 189.5
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.