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]+ 212.081826 164.7
[M+Na]+ 234.063768 172.9
[M-H]- 210.067274 168.4
[M+NH4]+ 229.108373 176.6
[M+K]+ 250.037708 169.7
[M+H-H2O]+ 194.071810 148.6
[M+HCOO]- 256.072751 177.1
[M+CH3COO]- 270.088401 221.0
[M+Na-2H]- 232.049216 165.0
[M]+ 211.07400142 156.1
[M]- 211.07509858 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.