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]+ 251.12912 162.6
[M+Na]+ 273.11106 170.5
[M-H]- 249.11456 170.7
[M+NH4]+ 268.15566 178.1
[M+K]+ 289.08500 166.9
[M+H-H2O]+ 233.11910 146.7
[M+HCOO]- 295.12004 188.2
[M+CH3COO]- 309.13569 218.6
[M+Na-2H]- 271.09651 168.9
[M]+ 250.12129 158.6
[M]- 250.12239 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.