CID 687726

35563-27-0

Structural Information

Molecular Formula
C7H8N2OS
SMILES
C1CC2=C(C1)NC(=S)NC2=O
InChI
InChI=1S/C7H8N2OS/c10-6-4-2-1-3-5(4)8-7(11)9-6/h1-3H2,(H2,8,9,10,11)
InChIKey
BKZNWILEYOKDSL-UHFFFAOYSA-N
Compound name
2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

96
Patents

168.03574 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04302 132.8
[M+Na]+ 191.02496 144.5
[M+NH4]+ 186.06956 141.1
[M+K]+ 206.99890 138.5
[M-H]- 167.02846 132.9
[M+Na-2H]- 189.01041 136.5
[M]+ 168.03519 134.7
[M]- 168.03629 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe