CID 97081

5-phenyl-1,2,4-triazin-3-amine

Structural Information

Molecular Formula
C9H8N4
SMILES
C1=CC=C(C=C1)C2=CN=NC(=N2)N
InChI
InChI=1S/C9H8N4/c10-9-12-8(6-11-13-9)7-4-2-1-3-5-7/h1-6H,(H2,10,12,13)
InChIKey
IJXBFQUBVHTXGX-UHFFFAOYSA-N
Compound name
5-phenyl-1,2,4-triazin-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

58
Patents

172.07489 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08217 134.9
[M+Na]+ 195.06411 150.0
[M+NH4]+ 190.10871 143.2
[M+K]+ 211.03805 143.0
[M-H]- 171.06761 138.7
[M+Na-2H]- 193.04956 145.6
[M]+ 172.07434 138.1
[M]- 172.07544 138.1
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