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]+ 243.069896 150.9
[M+Na]+ 265.051838 160.9
[M-H]- 241.055344 155.9
[M+NH4]+ 260.096443 165.1
[M+K]+ 281.025778 155.6
[M+H-H2O]+ 225.059880 141.2
[M+HCOO]- 287.060821 166.7
[M+CH3COO]- 301.076471 162.8
[M+Na-2H]- 263.037286 154.5
[M]+ 242.06207142 150.9
[M]- 242.06316858 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.