CID 106516050

5-(6-methoxypyridin-3-yl)-2,3-dihydro-1,3,4-thiadiazol-2-one

Structural Information

Molecular Formula
C8H7N3O2S
SMILES
COC1=NC=C(C=C1)C2=NNC(=O)S2
InChI
InChI=1S/C8H7N3O2S/c1-13-6-3-2-5(4-9-6)7-10-11-8(12)14-7/h2-4H,1H3,(H,11,12)
InChIKey
QVQDOXIUHFWJDA-UHFFFAOYSA-N
Compound name
5-(6-methoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0259 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.033176 140.7
[M+Na]+ 232.015118 152.2
[M-H]- 208.018624 143.5
[M+NH4]+ 227.059723 157.6
[M+K]+ 247.989058 148.1
[M+H-H2O]+ 192.023160 133.3
[M+HCOO]- 254.024101 158.2
[M+CH3COO]- 268.039751 153.9
[M+Na-2H]- 230.000566 143.9
[M]+ 209.02535142 143.4
[M]- 209.02644858 143.4
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.