CID 65666

Tasuldine

Structural Information

Molecular Formula
C10H9N3S
SMILES
C1=CC(=CN=C1)CSC2=NC=CC=N2
InChI
InChI=1S/C10H9N3S/c1-3-9(7-11-4-1)8-14-10-12-5-2-6-13-10/h1-7H,8H2
InChIKey
HMCTXMOKMWELFJ-UHFFFAOYSA-N
Compound name
2-(pyridin-3-ylmethylsulfanyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

56
Patents

203.05171 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05899 140.3
[M+Na]+ 226.04093 149.6
[M-H]- 202.04443 143.1
[M+NH4]+ 221.08553 155.7
[M+K]+ 242.01487 144.9
[M+H-H2O]+ 186.04897 131.6
[M+HCOO]- 248.04991 157.2
[M+CH3COO]- 262.06556 152.7
[M+Na-2H]- 224.02638 147.4
[M]+ 203.05116 141.6
[M]- 203.05226 141.6
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.