CID 121269

2002-04-2

Structural Information

Molecular Formula
C7H6N4S
SMILES
C1=CN=CC=C1C2=NN=C(S2)N
InChI
InChI=1S/C7H6N4S/c8-7-11-10-6(12-7)5-1-3-9-4-2-5/h1-4H,(H2,8,11)
InChIKey
KTWDTPBHCWJWGJ-UHFFFAOYSA-N
Compound name
5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

163
Patents

178.03131 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03859 133.3
[M+Na]+ 201.02053 146.3
[M+NH4]+ 196.06513 142.0
[M+K]+ 216.99447 140.1
[M-H]- 177.02403 136.5
[M+Na-2H]- 199.00598 141.7
[M]+ 178.03076 136.4
[M]- 178.03186 136.4
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