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

literature stripe

Patent stripe

patents stripe