CID 24068

Acetanilide, 4'-(1-allyl-1-carbamoyl-3-butenyl)-

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CC(=O)NC1=CC=C(C=C1)C(CC=C)(CC=C)C(=O)N
InChI
InChI=1S/C16H20N2O2/c1-4-10-16(11-5-2,15(17)20)13-6-8-14(9-7-13)18-12(3)19/h4-9H,1-2,10-11H2,3H3,(H2,17,20)(H,18,19)
InChIKey
XVAKJVBWXSZTGC-UHFFFAOYSA-N
Compound name
2-(4-acetamidophenyl)-2-prop-2-enylpent-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.159746 165.8
[M+Na]+ 295.141688 170.5
[M-H]- 271.145194 168.4
[M+NH4]+ 290.186293 181.1
[M+K]+ 311.115628 166.6
[M+H-H2O]+ 255.149730 159.1
[M+HCOO]- 317.150671 187.1
[M+CH3COO]- 331.166321 204.9
[M+Na-2H]- 293.127136 167.5
[M]+ 272.15192142 164.3
[M]- 272.15301858 164.3
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.