CID 9570101

((p-acetylphenyl)azo)malononitrile phenylhydrazone

Structural Information

Molecular Formula
C17H14N6
SMILES
C/C(=N\NC1=CC=CC=C1)/C2=CC=C(C=C2)N=NC(C#N)C#N
InChI
InChI=1S/C17H14N6/c1-13(20-21-15-5-3-2-4-6-15)14-7-9-16(10-8-14)22-23-17(11-18)12-19/h2-10,17,21H,1H3/b20-13+,23-22?
InChIKey
QHBKVWXUGKFGJN-FTEWTSQZSA-N
Compound name
2-[[4-[(E)-N-anilino-C-methylcarbonimidoyl]phenyl]diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.128 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.135276 187.0
[M+Na]+ 325.117218 193.8
[M-H]- 301.120724 192.2
[M+NH4]+ 320.161823 195.9
[M+K]+ 341.091158 189.3
[M+H-H2O]+ 285.125260 168.5
[M+HCOO]- 347.126201 202.4
[M+CH3COO]- 361.141851 239.4
[M+Na-2H]- 323.102666 187.6
[M]+ 302.12745142 177.9
[M]- 302.12854858 177.9
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.