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]+ 270.109776 178.3
[M+Na]+ 292.091718 184.0
[M-H]- 268.095224 182.4
[M+NH4]+ 287.136323 187.9
[M+K]+ 308.065658 183.5
[M+H-H2O]+ 252.099760 160.6
[M+HCOO]- 314.100701 193.8
[M+CH3COO]- 328.116351 236.7
[M+Na-2H]- 290.077166 177.8
[M]+ 269.10195142 168.6
[M]- 269.10304858 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.