CID 9570097

((p-acetylphenyl)azo)malononitrile semicarbazone

Structural Information

Molecular Formula
C12H11N7O
SMILES
C/C(=N\NC(=O)N)/C1=CC=C(C=C1)N=NC(C#N)C#N
InChI
InChI=1S/C12H11N7O/c1-8(16-19-12(15)20)9-2-4-10(5-3-9)17-18-11(6-13)7-14/h2-5,11H,1H3,(H3,15,19,20)/b16-8+,18-17?
InChIKey
RLIHYWZKDDBNNJ-UKMHKXHTSA-N
Compound name
[(E)-1-[4-(dicyanomethyldiazenyl)phenyl]ethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1025 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10978 194.7
[M+Na]+ 292.09172 199.5
[M+NH4]+ 287.13632 193.5
[M+K]+ 308.06566 189.7
[M-H]- 268.09522 185.6
[M+Na-2H]- 290.07717 192.0
[M]+ 269.10195 191.2
[M]- 269.10305 191.2
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.