CID 56170

4'-((dicyanomethyl)azo)acetanilide

Structural Information

Molecular Formula
C11H9N5O
SMILES
CC(=O)NC1=CC=C(C=C1)N=NC(C#N)C#N
InChI
InChI=1S/C11H9N5O/c1-8(17)14-9-2-4-10(5-3-9)15-16-11(6-12)7-13/h2-5,11H,1H3,(H,14,17)
InChIKey
WPHFIWGLTMYDAM-UHFFFAOYSA-N
Compound name
N-[4-(dicyanomethyldiazenyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0807 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08798 166.3
[M+Na]+ 250.06992 173.8
[M-H]- 226.07342 170.5
[M+NH4]+ 245.11452 177.6
[M+K]+ 266.04386 172.1
[M+H-H2O]+ 210.07796 149.5
[M+HCOO]- 272.07890 181.3
[M+CH3COO]- 286.09455 227.4
[M+Na-2H]- 248.05537 167.6
[M]+ 227.08015 158.0
[M]- 227.08125 158.0
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

patents stripe