CID 516610

121845-61-2

Structural Information

Molecular Formula
C18H12N4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(C=CN=C4)N=N3
InChI
InChI=1S/C18H12N4/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)18-20-17-12-19-11-10-16(17)21-22-18/h1-12H
InChIKey
HYRXSBPCRFQPQZ-UHFFFAOYSA-N
Compound name
3-(4-phenylphenyl)pyrido[3,4-e][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.1062 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11348 168.0
[M+Na]+ 307.09542 177.4
[M-H]- 283.09892 172.9
[M+NH4]+ 302.14002 178.1
[M+K]+ 323.06936 169.4
[M+H-H2O]+ 267.10346 155.3
[M+HCOO]- 329.10440 186.0
[M+CH3COO]- 343.12005 178.2
[M+Na-2H]- 305.08087 177.9
[M]+ 284.10565 166.6
[M]- 284.10675 166.6
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

No patent data available for this compound.