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]+ 275.12914 152.8
[M+Na]+ 297.11108 158.4
[M-H]- 273.11458 155.6
[M+NH4]+ 292.15568 158.0
[M+K]+ 313.08502 156.4
[M+H-H2O]+ 257.11912 147.1
[M+HCOO]- 319.12006 162.7
[M+CH3COO]- 333.13571 157.5
[M+Na-2H]- 295.09653 155.1
[M]+ 274.12131 152.0
[M]- 274.12241 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.