CID 201608

5-acetamido-2-allyloxy-n-sec-butylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.16306 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.170336 170.5
[M+Na]+ 313.152278 175.0
[M-H]- 289.155784 173.7
[M+NH4]+ 308.196883 185.5
[M+K]+ 329.126218 172.8
[M+H-H2O]+ 273.160320 163.1
[M+HCOO]- 335.161261 193.0
[M+CH3COO]- 349.176911 209.6
[M+Na-2H]- 311.137726 170.5
[M]+ 290.16251142 172.3
[M]- 290.16360858 172.3
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.