CID 47671

65542-21-4

Structural Information

Molecular Formula
C15H14N4
SMILES
CN(CC1=CC=CC=C1)N=NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H14N4/c1-19(12-14-5-3-2-4-6-14)18-17-15-9-7-13(11-16)8-10-15/h2-10H,12H2,1H3
InChIKey
HGLKQTLPFOLZJL-UHFFFAOYSA-N
Compound name
4-[[benzyl(methyl)amino]diazenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12184 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.129116 162.6
[M+Na]+ 273.111058 170.5
[M-H]- 249.114564 170.7
[M+NH4]+ 268.155663 178.1
[M+K]+ 289.084998 166.9
[M+H-H2O]+ 233.119100 146.7
[M+HCOO]- 295.120041 188.2
[M+CH3COO]- 309.135691 218.6
[M+Na-2H]- 271.096506 168.9
[M]+ 250.12129142 158.6
[M]- 250.12238858 158.6
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.