CID 207683

2-(allyloxy)-5-amino-n-propyl-m-toluamide hydrochloride

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CCCNC(=O)C1=C(C(=CC(=C1)N)C)OCC=C
InChI
InChI=1S/C14H20N2O2/c1-4-6-16-14(17)12-9-11(15)8-10(3)13(12)18-7-5-2/h5,8-9H,2,4,6-7,15H2,1,3H3,(H,16,17)
InChIKey
BOFKBYMKOHTEFK-UHFFFAOYSA-N
Compound name
5-amino-3-methyl-2-prop-2-enoxy-N-propylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 159.1
[M+Na]+ 271.141698 165.8
[M-H]- 247.145204 162.4
[M+NH4]+ 266.186303 176.1
[M+K]+ 287.115638 162.6
[M+H-H2O]+ 231.149740 152.3
[M+HCOO]- 293.150681 183.2
[M+CH3COO]- 307.166331 201.8
[M+Na-2H]- 269.127146 160.8
[M]+ 248.15193142 160.2
[M]- 248.15302858 160.2
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.