CID 10441749

Pyrrolo[2,1-f][1,2,4]triazin-4-amine

Structural Information

Molecular Formula
C6H6N4
SMILES
C1=CN2C(=C1)C(=NC=N2)N
InChI
InChI=1S/C6H6N4/c7-6-5-2-1-3-10(5)9-4-8-6/h1-4H,(H2,7,8,9)
InChIKey
VSPXQZSDPSOPRO-UHFFFAOYSA-N
Compound name
pyrrolo[2,1-f][1,2,4]triazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

716
Patents

134.05925 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06653 122.2
[M+Na]+ 157.04847 135.8
[M+NH4]+ 152.09307 130.8
[M+K]+ 173.02241 131.6
[M-H]- 133.05197 123.6
[M+Na-2H]- 155.03392 130.0
[M]+ 134.05870 124.4
[M]- 134.05980 124.4
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

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