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 164.7
[M+Na]+ 234.06377 172.9
[M-H]- 210.06727 168.4
[M+NH4]+ 229.10837 176.6
[M+K]+ 250.03771 169.7
[M+H-H2O]+ 194.07181 148.6
[M+HCOO]- 256.07275 177.1
[M+CH3COO]- 270.08840 221.0
[M+Na-2H]- 232.04922 165.0
[M]+ 211.07400 156.1
[M]- 211.07510 156.1
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.