CID 84870

15311-09-8

Structural Information

Molecular Formula
C12H8N4S
SMILES
C1=CN=CC=C1C2=NN=C(S2)C3=CC=NC=C3
InChI
InChI=1S/C12H8N4S/c1-5-13-6-2-9(1)11-15-16-12(17-11)10-3-7-14-8-4-10/h1-8H
InChIKey
UQDBUNOBHAOPPJ-UHFFFAOYSA-N
Compound name
2,5-dipyridin-4-yl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

12
Patents

240.04697 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.05425 149.7
[M+Na]+ 263.03619 160.8
[M-H]- 239.03969 155.1
[M+NH4]+ 258.08079 164.1
[M+K]+ 279.01013 155.1
[M+H-H2O]+ 223.04423 140.2
[M+HCOO]- 285.04517 166.9
[M+CH3COO]- 299.06082 162.1
[M+Na-2H]- 261.02164 154.3
[M]+ 240.04642 151.0
[M]- 240.04752 151.0
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