CID 516636

3-methylpyrido[3,2-e][1,2,4]triazine

Structural Information

Molecular Formula
C7H6N4
SMILES
CC1=NC2=C(N=CC=C2)N=N1
InChI
InChI=1S/C7H6N4/c1-5-9-6-3-2-4-8-7(6)11-10-5/h2-4H,1H3
InChIKey
TYYIWEFAWZZEOE-UHFFFAOYSA-N
Compound name
3-methylpyrido[3,2-e][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

146.05925 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06653 128.9
[M+Na]+ 169.04847 139.8
[M-H]- 145.05197 128.3
[M+NH4]+ 164.09307 146.0
[M+K]+ 185.02241 136.6
[M+H-H2O]+ 129.05651 120.2
[M+HCOO]- 191.05745 148.5
[M+CH3COO]- 205.07310 142.1
[M+Na-2H]- 167.03392 140.7
[M]+ 146.05870 129.2
[M]- 146.05980 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe