CID 19436

Benzyl(o-tolylazo)malononitrile

Structural Information

Molecular Formula
C17H14N4
SMILES
CC1=CC=CC=C1N=NC(C2=CC=CC=C2)C(C#N)C#N
InChI
InChI=1S/C17H14N4/c1-13-7-5-6-10-16(13)20-21-17(15(11-18)12-19)14-8-3-2-4-9-14/h2-10,15,17H,1H3
InChIKey
OLRQMSMZSFSTAI-UHFFFAOYSA-N
Compound name
2-[[(2-methylphenyl)diazenyl]-phenylmethyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.12186 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.129136 179.7
[M+Na]+ 297.111078 187.9
[M-H]- 273.114584 184.8
[M+NH4]+ 292.155683 189.8
[M+K]+ 313.085018 182.4
[M+H-H2O]+ 257.119120 162.2
[M+HCOO]- 319.120061 193.4
[M+CH3COO]- 333.135711 232.4
[M+Na-2H]- 295.096526 180.2
[M]+ 274.12131142 171.2
[M]- 274.12240858 171.2
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.