CID 292043

N-(2,2-dicyanovinyl)-acetanilide

Structural Information

Molecular Formula
C12H9N3O
SMILES
CC(=O)N(C=C(C#N)C#N)C1=CC=CC=C1
InChI
InChI=1S/C12H9N3O/c1-10(16)15(9-11(7-13)8-14)12-5-3-2-4-6-12/h2-6,9H,1H3
InChIKey
APMGGBGNOOXDMX-UHFFFAOYSA-N
Compound name
N-(2,2-dicyanoethenyl)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07455 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08183 176.1
[M+Na]+ 234.06377 183.7
[M+NH4]+ 229.10837 176.2
[M+K]+ 250.03771 173.4
[M-H]- 210.06727 166.2
[M+Na-2H]- 232.04922 174.9
[M]+ 211.07400 173.0
[M]- 211.07510 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.