CID 3053024

Brn 1134797

Structural Information

Molecular Formula
C14H11N5S
SMILES
CSC1=NC(=C(N=N1)C2=CC=CC=N2)C3=CC=CC=N3
InChI
InChI=1S/C14H11N5S/c1-20-14-17-12(10-6-2-4-8-15-10)13(18-19-14)11-7-3-5-9-16-11/h2-9H,1H3
InChIKey
OZUNGXSVBRVVSZ-UHFFFAOYSA-N
Compound name
3-methylsulfanyl-5,6-dipyridin-2-yl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

281.07352 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.080796 163.1
[M+Na]+ 304.062738 174.0
[M-H]- 280.066244 166.6
[M+NH4]+ 299.107343 172.5
[M+K]+ 320.036678 166.4
[M+H-H2O]+ 264.070780 152.1
[M+HCOO]- 326.071721 177.1
[M+CH3COO]- 340.087371 173.6
[M+Na-2H]- 302.048186 169.1
[M]+ 281.07297142 164.5
[M]- 281.07406858 164.5
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

patents stripe