CID 40959

54010-21-8

Structural Information

Molecular Formula
C12H10N4S
SMILES
C1=CN=CC=C1C2N=NC(S2)C3=CC=NC=C3
InChI
InChI=1S/C12H10N4S/c1-5-13-6-2-9(1)11-15-16-12(17-11)10-3-7-14-8-4-10/h1-8,11-12H
InChIKey
USFUGZPSALNPPL-UHFFFAOYSA-N
Compound name
2,5-dipyridin-4-yl-2,5-dihydro-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

242.06262 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06990 150.9
[M+Na]+ 265.05184 160.9
[M-H]- 241.05534 155.9
[M+NH4]+ 260.09644 165.1
[M+K]+ 281.02578 155.6
[M+H-H2O]+ 225.05988 141.2
[M+HCOO]- 287.06082 166.7
[M+CH3COO]- 301.07647 162.8
[M+Na-2H]- 263.03729 154.5
[M]+ 242.06207 150.9
[M]- 242.06317 150.9
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.