CID 12445018

Zapotidine

Structural Information

Molecular Formula
C7H9N3S
SMILES
CN1CCC2=CN=CN2C1=S
InChI
InChI=1S/C7H9N3S/c1-9-3-2-6-4-8-5-10(6)7(9)11/h4-5H,2-3H2,1H3
InChIKey
OXVNSOXLMCVHBU-UHFFFAOYSA-N
Compound name
6-methyl-7,8-dihydroimidazo[1,5-c]pyrimidine-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

167.05171 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.058986 133.3
[M+Na]+ 190.040928 144.0
[M-H]- 166.044434 134.3
[M+NH4]+ 185.085533 153.9
[M+K]+ 206.014868 140.9
[M+H-H2O]+ 150.048970 126.8
[M+HCOO]- 212.049911 147.7
[M+CH3COO]- 226.065561 146.5
[M+Na-2H]- 188.026376 136.0
[M]+ 167.05116142 133.4
[M]- 167.05225858 133.4
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