CID 1892205

618879-68-8

Structural Information

Molecular Formula
C20H20N4OS2
SMILES
CCN1C(=O)C2=C(N=C1SCC3=NC4=CC=CC=C4N3)SC5=C2CCCC5
InChI
InChI=1S/C20H20N4OS2/c1-2-24-19(25)17-12-7-3-6-10-15(12)27-18(17)23-20(24)26-11-16-21-13-8-4-5-9-14(13)22-16/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,21,22)
InChIKey
DILURCXKNHRZNY-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.10785 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.11513 187.9
[M+Na]+ 419.09707 203.5
[M+NH4]+ 414.14167 196.8
[M+K]+ 435.07101 194.3
[M-H]- 395.10057 191.8
[M+Na-2H]- 417.08252 193.0
[M]+ 396.10730 192.4
[M]- 396.10840 192.4
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.