CID 201666

Brn 2142198

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CC(=O)NC1=CC(=C(C=C1)OCC=C)C(=O)NC2CC2
InChI
InChI=1S/C15H18N2O3/c1-3-8-20-14-7-6-12(16-10(2)18)9-13(14)15(19)17-11-4-5-11/h3,6-7,9,11H,1,4-5,8H2,2H3,(H,16,18)(H,17,19)
InChIKey
YPNJGKMLKXJUCY-UHFFFAOYSA-N
Compound name
5-acetamido-N-cyclopropyl-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 160.0
[M+Na]+ 297.12096 167.1
[M-H]- 273.12446 167.3
[M+NH4]+ 292.16556 171.0
[M+K]+ 313.09490 163.0
[M+H-H2O]+ 257.12900 152.7
[M+HCOO]- 319.12994 184.3
[M+CH3COO]- 333.14559 206.5
[M+Na-2H]- 295.10641 162.7
[M]+ 274.13119 163.4
[M]- 274.13229 163.4
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.