CID 2077888

742120-00-9

Structural Information

Molecular Formula
C15H13ClN2OS
SMILES
CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CCl)C
InChI
InChI=1S/C15H13ClN2OS/c1-8-3-5-10(6-4-8)12-9(2)20-15-13(12)14(19)17-11(7-16)18-15/h3-6H,7H2,1-2H3,(H,17,18,19)
InChIKey
PIDCUBRSOYBWRH-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0437 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05098 167.6
[M+Na]+ 327.03292 185.0
[M+NH4]+ 322.07752 176.8
[M+K]+ 343.00686 175.6
[M-H]- 303.03642 171.8
[M+Na-2H]- 325.01837 175.3
[M]+ 304.04315 172.3
[M]- 304.04425 172.3
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.