CID 337392

79441-91-1

Structural Information

Molecular Formula
C15H10N4
SMILES
C1=CC=C(C=C1)C2=CN=NC3=C4C=CC=CC4=NN23
InChI
InChI=1S/C15H10N4/c1-2-6-11(7-3-1)14-10-16-17-15-12-8-4-5-9-13(12)18-19(14)15/h1-10H
InChIKey
XEGALTMZLRIKRY-UHFFFAOYSA-N
Compound name
4-phenyl-[1,2,4]triazino[4,3-b]indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.09055 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09783 154.6
[M+Na]+ 269.07977 166.5
[M-H]- 245.08327 158.5
[M+NH4]+ 264.12437 170.1
[M+K]+ 285.05371 159.6
[M+H-H2O]+ 229.08781 144.0
[M+HCOO]- 291.08875 174.8
[M+CH3COO]- 305.10440 166.9
[M+Na-2H]- 267.06522 164.4
[M]+ 246.09000 156.3
[M]- 246.09110 156.3
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.