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]+ 273.159746 168.8
[M+Na]+ 295.141688 176.0
[M-H]- 271.145194 170.3
[M+NH4]+ 290.186293 182.7
[M+K]+ 311.115628 171.7
[M+H-H2O]+ 255.149730 155.7
[M+HCOO]- 317.150671 186.0
[M+CH3COO]- 331.166321 211.3
[M+Na-2H]- 293.127136 168.8
[M]+ 272.15192142 164.1
[M]- 272.15301858 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.