CID 3077846

135718-67-1

Structural Information

Molecular Formula
C17H19N3S2
SMILES
CSC1=NC2=C(C(N1N)C3=CC=CC=C3)C4=C(S2)CCCC4
InChI
InChI=1S/C17H19N3S2/c1-21-17-19-16-14(12-9-5-6-10-13(12)22-16)15(20(17)18)11-7-3-2-4-8-11/h2-4,7-8,15H,5-6,9-10,18H2,1H3
InChIKey
KRYYTWWDSXXZPL-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-4-phenyl-5,6,7,8-tetrahydro-4H-[1]benzothiolo[2,3-d]pyrimidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.10205 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10933 169.0
[M+Na]+ 352.09127 181.9
[M+NH4]+ 347.13587 179.5
[M+K]+ 368.06521 171.6
[M-H]- 328.09477 174.7
[M+Na-2H]- 350.07672 174.7
[M]+ 329.10150 173.5
[M]- 329.10260 173.5
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.