CID 516628

121845-80-5

Structural Information

Molecular Formula
C9H11N5
SMILES
CC1=C(C2=C(C(=N1)C)N=C(N=N2)C)N
InChI
InChI=1S/C9H11N5/c1-4-7(10)9-8(5(2)11-4)12-6(3)13-14-9/h10H2,1-3H3
InChIKey
GDEPNWCPNVVBMR-UHFFFAOYSA-N
Compound name
3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

189.10144 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10872 144.6
[M+Na]+ 212.09066 156.8
[M-H]- 188.09416 144.5
[M+NH4]+ 207.13526 160.4
[M+K]+ 228.06460 152.5
[M+H-H2O]+ 172.09870 136.2
[M+HCOO]- 234.09964 164.0
[M+CH3COO]- 248.11529 157.2
[M+Na-2H]- 210.07611 152.4
[M]+ 189.10089 145.3
[M]- 189.10199 145.3
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

No patent data available for this compound.