CID 516609

121845-60-1

Structural Information

Molecular Formula
C13H7N5
SMILES
C1=CC(=CC=C1C#N)C2=NC3=C(C=CN=C3)N=N2
InChI
InChI=1S/C13H7N5/c14-7-9-1-3-10(4-2-9)13-16-12-8-15-6-5-11(12)17-18-13/h1-6,8H
InChIKey
KVYRBRIPUAHYGR-UHFFFAOYSA-N
Compound name
4-pyrido[3,4-e][1,2,4]triazin-3-ylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

233.07014 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07742 151.2
[M+Na]+ 256.05936 162.6
[M-H]- 232.06286 151.0
[M+NH4]+ 251.10396 162.0
[M+K]+ 272.03330 155.1
[M+H-H2O]+ 216.06740 133.6
[M+HCOO]- 278.06834 166.0
[M+CH3COO]- 292.08399 160.6
[M+Na-2H]- 254.04481 160.1
[M]+ 233.06959 145.3
[M]- 233.07069 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.