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]+ 235.14411 154.7
[M+Na]+ 257.12605 160.8
[M-H]- 233.12955 157.8
[M+NH4]+ 252.17065 172.0
[M+K]+ 273.09999 157.9
[M+H-H2O]+ 217.13409 147.8
[M+HCOO]- 279.13503 179.2
[M+CH3COO]- 293.15068 197.5
[M+Na-2H]- 255.11150 157.6
[M]+ 234.13628 155.0
[M]- 234.13738 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.