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]+ 282.08080 163.1
[M+Na]+ 304.06274 174.0
[M-H]- 280.06624 166.6
[M+NH4]+ 299.10734 172.5
[M+K]+ 320.03668 166.4
[M+H-H2O]+ 264.07078 152.1
[M+HCOO]- 326.07172 177.1
[M+CH3COO]- 340.08737 173.6
[M+Na-2H]- 302.04819 169.1
[M]+ 281.07297 164.5
[M]- 281.07407 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