CID 19438

Benzyl(p-tolylazo)malononitrile

Structural Information

Molecular Formula
C17H14N4
SMILES
CC1=CC=C(C=C1)N=NC(C2=CC=CC=C2)C(C#N)C#N
InChI
InChI=1S/C17H14N4/c1-13-7-9-16(10-8-13)20-21-17(15(11-18)12-19)14-5-3-2-4-6-14/h2-10,15,17H,1H3
InChIKey
CDRZCUXROBHCRR-UHFFFAOYSA-N
Compound name
2-[[(4-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]+ 275.12914 179.7
[M+Na]+ 297.11108 187.9
[M-H]- 273.11458 184.8
[M+NH4]+ 292.15568 189.8
[M+K]+ 313.08502 182.4
[M+H-H2O]+ 257.11912 162.2
[M+HCOO]- 319.12006 193.4
[M+CH3COO]- 333.13571 232.4
[M+Na-2H]- 295.09653 180.2
[M]+ 274.12131 171.2
[M]- 274.12241 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.