CID 207746

2-(allyloxy)-5-amino-n-propylbenzamide

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CCCNC(=O)C1=C(C=CC(=C1)N)OCC=C
InChI
InChI=1S/C13H18N2O2/c1-3-7-15-13(16)11-9-10(14)5-6-12(11)17-8-4-2/h4-6,9H,2-3,7-8,14H2,1H3,(H,15,16)
InChIKey
VJHDKVLKKKAMSH-UHFFFAOYSA-N
Compound name
5-amino-2-prop-2-enoxy-N-propylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 154.7
[M+Na]+ 257.126048 160.8
[M-H]- 233.129554 157.8
[M+NH4]+ 252.170653 172.0
[M+K]+ 273.099988 157.9
[M+H-H2O]+ 217.134090 147.8
[M+HCOO]- 279.135031 179.2
[M+CH3COO]- 293.150681 197.5
[M+Na-2H]- 255.111496 157.6
[M]+ 234.13628142 155.0
[M]- 234.13737858 155.0
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.