CID 37824

Qm-1143

Structural Information

Molecular Formula
C15H20N4S
SMILES
CN1CCN(CC1)C2CCCC3=C2C4=CN=CN=C4S3
InChI
InChI=1S/C15H20N4S/c1-18-5-7-19(8-6-18)12-3-2-4-13-14(12)11-9-16-10-17-15(11)20-13/h9-10,12H,2-8H2,1H3
InChIKey
PSELBYIABOQPOX-UHFFFAOYSA-N
Compound name
5-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.14087 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14815 165.8
[M+Na]+ 311.13009 174.3
[M-H]- 287.13359 168.3
[M+NH4]+ 306.17469 180.6
[M+K]+ 327.10403 168.5
[M+H-H2O]+ 271.13813 156.4
[M+HCOO]- 333.13907 174.6
[M+CH3COO]- 347.15472 175.5
[M+Na-2H]- 309.11554 167.0
[M]+ 288.14032 163.7
[M]- 288.14142 163.7
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.