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]+ 303.13528 187.0
[M+Na]+ 325.11722 193.8
[M-H]- 301.12072 192.2
[M+NH4]+ 320.16182 195.9
[M+K]+ 341.09116 189.3
[M+H-H2O]+ 285.12526 168.5
[M+HCOO]- 347.12620 202.4
[M+CH3COO]- 361.14185 239.4
[M+Na-2H]- 323.10267 187.6
[M]+ 302.12745 177.9
[M]- 302.12855 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.