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 178.3
[M+Na]+ 292.09172 184.0
[M-H]- 268.09522 182.4
[M+NH4]+ 287.13632 187.9
[M+K]+ 308.06566 183.5
[M+H-H2O]+ 252.09976 160.6
[M+HCOO]- 314.10070 193.8
[M+CH3COO]- 328.11635 236.7
[M+Na-2H]- 290.07717 177.8
[M]+ 269.10195 168.6
[M]- 269.10305 168.6
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.