CID 458037

3-methyl-[1,2,4]triazino[5,6-c]quinoline

Structural Information

Molecular Formula
C11H8N4
SMILES
CC1=NC2=C(C3=CC=CC=C3N=C2)N=N1
InChI
InChI=1S/C11H8N4/c1-7-13-10-6-12-9-5-3-2-4-8(9)11(10)15-14-7/h2-6H,1H3
InChIKey
NUFYXGFJQNRDET-UHFFFAOYSA-N
Compound name
3-methyl-[1,2,4]triazino[5,6-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

196.07489 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08217 142.1
[M+Na]+ 219.06411 154.5
[M-H]- 195.06761 142.8
[M+NH4]+ 214.10871 158.3
[M+K]+ 235.03805 149.0
[M+H-H2O]+ 179.07215 132.5
[M+HCOO]- 241.07309 161.5
[M+CH3COO]- 255.08874 154.9
[M+Na-2H]- 217.04956 155.0
[M]+ 196.07434 144.2
[M]- 196.07544 144.2
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.