CID 4962141

900640-91-7

Structural Information

Molecular Formula
C15H16N4OS2
SMILES
C1CN(CCN1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2
InChI
InChI=1S/C15H16N4OS2/c20-14-13-10(11-2-1-7-21-11)9-22-15(13)18-12(17-14)8-19-5-3-16-4-6-19/h1-2,7,9,16H,3-6,8H2,(H,17,18,20)
InChIKey
OADLEHUQERTNMU-UHFFFAOYSA-N
Compound name
2-(piperazin-1-ylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.07657 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08385 170.1
[M+Na]+ 355.06579 181.2
[M-H]- 331.06929 174.1
[M+NH4]+ 350.11039 183.5
[M+K]+ 371.03973 173.4
[M+H-H2O]+ 315.07383 164.0
[M+HCOO]- 377.07477 177.4
[M+CH3COO]- 391.09042 180.0
[M+Na-2H]- 353.05124 168.0
[M]+ 332.07602 169.7
[M]- 332.07712 169.7
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.