CID 514168

Chembl146442

Structural Information

Molecular Formula
C9H7N3O2S
SMILES
C1=CC(=CN=C1)CC2=NC(=O)NC(=O)S2
InChI
InChI=1S/C9H7N3O2S/c13-8-11-7(15-9(14)12-8)4-6-2-1-3-10-5-6/h1-3,5H,4H2,(H,12,13,14)
InChIKey
OREGPVDUZIESDA-UHFFFAOYSA-N
Compound name
6-(pyridin-3-ylmethyl)-1,3,5-thiadiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

221.0259 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03318 143.6
[M+Na]+ 244.01512 154.8
[M-H]- 220.01862 145.9
[M+NH4]+ 239.05972 157.9
[M+K]+ 259.98906 149.1
[M+H-H2O]+ 204.02316 135.5
[M+HCOO]- 266.02410 159.9
[M+CH3COO]- 280.03975 156.0
[M+Na-2H]- 242.00057 149.1
[M]+ 221.02535 144.8
[M]- 221.02645 144.8
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.