CID 108561

Acetamide, n-(4,4-dicyano-1,3-butadien-1-yl)-n-phenyl-

Structural Information

Molecular Formula
C14H11N3O
SMILES
CC(=O)N(C=CC=C(C#N)C#N)C1=CC=CC=C1
InChI
InChI=1S/C14H11N3O/c1-12(18)17(14-7-3-2-4-8-14)9-5-6-13(10-15)11-16/h2-9H,1H3
InChIKey
DEHURSMVDCYOCA-UHFFFAOYSA-N
Compound name
N-(4,4-dicyanobuta-1,3-dienyl)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

237.09021 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.097486 171.5
[M+Na]+ 260.079428 179.4
[M-H]- 236.082934 175.0
[M+NH4]+ 255.124033 182.7
[M+K]+ 276.053368 175.4
[M+H-H2O]+ 220.087470 155.2
[M+HCOO]- 282.088411 183.5
[M+CH3COO]- 296.104061 223.8
[M+Na-2H]- 258.064876 170.9
[M]+ 237.08966142 162.8
[M]- 237.09075858 162.8
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