CID 9552085

109367-42-2

Structural Information

Molecular Formula
C17H14N4
SMILES
C1=CC=C(C=C1)/C/2=N/C(=N\N=C(/C=C2)\C3=CC=CC=C3)/N
InChI
InChI=1S/C17H14N4/c18-17-19-15(13-7-3-1-4-8-13)11-12-16(20-21-17)14-9-5-2-6-10-14/h1-12H,(H2,18,19,21)
InChIKey
KEVVTXYCISWZBK-UHFFFAOYSA-N
Compound name
(1E,2Z,4E,6Z)-5,8-diphenyl-1,2,4-triazocin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.12186 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.129136 152.8
[M+Na]+ 297.111078 158.4
[M-H]- 273.114584 155.6
[M+NH4]+ 292.155683 158.0
[M+K]+ 313.085018 156.4
[M+H-H2O]+ 257.119120 147.1
[M+HCOO]- 319.120061 162.7
[M+CH3COO]- 333.135711 157.5
[M+Na-2H]- 295.096526 155.1
[M]+ 274.12131142 152.0
[M]- 274.12240858 152.0
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.