CID 19289

3652-14-0

Structural Information

Molecular Formula
C9H8N4OS
SMILES
CC(=O)NC1=NN=C(S1)C2=CC=NC=C2
InChI
InChI=1S/C9H8N4OS/c1-6(14)11-9-13-12-8(15-9)7-2-4-10-5-3-7/h2-5H,1H3,(H,11,13,14)
InChIKey
SKPUYTVKMWBTBK-UHFFFAOYSA-N
Compound name
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1
Patents

220.04189 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04917 145.0
[M+Na]+ 243.03111 154.7
[M-H]- 219.03461 148.8
[M+NH4]+ 238.07571 161.5
[M+K]+ 259.00505 151.1
[M+H-H2O]+ 203.03915 136.8
[M+HCOO]- 265.04009 163.4
[M+CH3COO]- 279.05574 157.7
[M+Na-2H]- 241.01656 148.6
[M]+ 220.04134 146.8
[M]- 220.04244 146.8
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.