CID 201606

Benzamide, 5-acetamido-2-allyloxy-n-butyl-

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C)OCC=C
InChI
InChI=1S/C16H22N2O3/c1-4-6-9-17-16(20)14-11-13(18-12(3)19)7-8-15(14)21-10-5-2/h5,7-8,11H,2,4,6,9-10H2,1,3H3,(H,17,20)(H,18,19)
InChIKey
XQMBSOMZGBISMJ-UHFFFAOYSA-N
Compound name
5-acetamido-N-butyl-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.16306 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 170.1
[M+Na]+ 313.15228 174.9
[M-H]- 289.15578 173.2
[M+NH4]+ 308.19688 185.2
[M+K]+ 329.12622 172.2
[M+H-H2O]+ 273.16032 162.5
[M+HCOO]- 335.16126 193.6
[M+CH3COO]- 349.17691 208.7
[M+Na-2H]- 311.13773 171.3
[M]+ 290.16251 172.6
[M]- 290.16361 172.6
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.