CID 6416062

2-phenylpyrido[1,2-b][1,2,4]triazin-5-ium perchlorate

Structural Information

Molecular Formula
C13H10N3
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=[N+]3N=C2
InChI
InChI=1S/C13H10N3/c1-2-6-11(7-3-1)12-10-14-16-9-5-4-8-13(16)15-12/h1-10H/q+1
InChIKey
POYWUISDAZYWMM-UHFFFAOYSA-N
Compound name
2-phenylpyrido[1,2-b][1,2,4]triazin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.08748 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09476 146.8
[M+Na]+ 231.07670 155.9
[M-H]- 207.08020 150.5
[M+NH4]+ 226.12130 161.8
[M+K]+ 247.05064 145.3
[M+H-H2O]+ 191.08474 139.4
[M+HCOO]- 253.08568 166.7
[M+CH3COO]- 267.10133 179.9
[M+Na-2H]- 229.06215 160.1
[M]+ 208.08693 144.7
[M]- 208.08803 144.7
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.