CID 265458

Pyrimido[5,4-e][1,2,4]triazin-5-amine

Structural Information

Molecular Formula
C5H4N6
SMILES
C1=NC2=C(N=CN=C2N=N1)N
InChI
InChI=1S/C5H4N6/c6-4-3-5(9-1-8-4)11-10-2-7-3/h1-2H,(H2,6,8,9,11)
InChIKey
IFIRGWFMDSYTEQ-UHFFFAOYSA-N
Compound name
pyrimido[5,4-e][1,2,4]triazin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.04974 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05702 129.4
[M+Na]+ 171.03896 140.5
[M-H]- 147.04246 127.3
[M+NH4]+ 166.08356 144.5
[M+K]+ 187.01290 136.9
[M+H-H2O]+ 131.04700 120.2
[M+HCOO]- 193.04794 148.8
[M+CH3COO]- 207.06359 141.9
[M+Na-2H]- 169.02441 141.8
[M]+ 148.04919 128.0
[M]- 148.05029 128.0
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.