CID 3070767

1,2,4-triazolo(4,3-b)(1,2,4)triazine, 6,7-di-2-pyridinyl-3-methyl-

Structural Information

Molecular Formula
C15H11N7
SMILES
CC1=NN=C2N1N=C(C(=N2)C3=CC=CC=N3)C4=CC=CC=N4
InChI
InChI=1S/C15H11N7/c1-10-19-20-15-18-13(11-6-2-4-8-16-11)14(21-22(10)15)12-7-3-5-9-17-12/h2-9H,1H3
InChIKey
RJADFHMYUZMFRR-UHFFFAOYSA-N
Compound name
3-methyl-6,7-dipyridin-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

289.1076 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11488 169.5
[M+Na]+ 312.09682 182.1
[M-H]- 288.10032 172.1
[M+NH4]+ 307.14142 177.8
[M+K]+ 328.07076 173.9
[M+H-H2O]+ 272.10486 156.5
[M+HCOO]- 334.10580 186.5
[M+CH3COO]- 348.12145 179.7
[M+Na-2H]- 310.08227 177.4
[M]+ 289.10705 171.4
[M]- 289.10815 171.4
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