CID 9552085

Nsc87952

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]+ 275.12914 156.1
[M+Na]+ 297.11108 161.5
[M+NH4]+ 292.15568 158.7
[M+K]+ 313.08502 159.7
[M-H]- 273.11458 158.1
[M+Na-2H]- 295.09653 161.1
[M]+ 274.12131 157.4
[M]- 274.12241 157.4
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.