CID 52078

73664-65-0

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C)CC#C
InChI
InChI=1S/C16H20N2O2/c1-4-6-10-17-16(20)15-11-14(18-12(3)19)9-8-13(15)7-5-2/h2,8-9,11H,4,6-7,10H2,1,3H3,(H,17,20)(H,18,19)
InChIKey
VYMLFKJXQVPAKF-UHFFFAOYSA-N
Compound name
5-acetamido-N-butyl-2-prop-2-ynylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 168.8
[M+Na]+ 295.14169 176.0
[M-H]- 271.14519 170.3
[M+NH4]+ 290.18629 182.7
[M+K]+ 311.11563 171.7
[M+H-H2O]+ 255.14973 155.7
[M+HCOO]- 317.15067 186.0
[M+CH3COO]- 331.16632 211.3
[M+Na-2H]- 293.12714 168.8
[M]+ 272.15192 164.1
[M]- 272.15302 164.1
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.