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

10
Patents

237.09021 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09749 171.5
[M+Na]+ 260.07943 179.4
[M-H]- 236.08293 175.0
[M+NH4]+ 255.12403 182.7
[M+K]+ 276.05337 175.4
[M+H-H2O]+ 220.08747 155.2
[M+HCOO]- 282.08841 183.5
[M+CH3COO]- 296.10406 223.8
[M+Na-2H]- 258.06488 170.9
[M]+ 237.08966 162.8
[M]- 237.09076 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