CID 207678

Benzamide, 2-(allyloxy)-5-amino-n-butyl-

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CCCCNC(=O)C1=C(C=CC(=C1)N)OCC=C
InChI
InChI=1S/C14H20N2O2/c1-3-5-8-16-14(17)12-10-11(15)6-7-13(12)18-9-4-2/h4,6-7,10H,2-3,5,8-9,15H2,1H3,(H,16,17)
InChIKey
RRHLYUYSJMTEHE-UHFFFAOYSA-N
Compound name
5-amino-N-butyl-2-prop-2-enoxybenzamide
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]+ 249.15976 159.3
[M+Na]+ 271.14170 164.9
[M-H]- 247.14520 162.1
[M+NH4]+ 266.18630 175.9
[M+K]+ 287.11564 161.8
[M+H-H2O]+ 231.14974 152.1
[M+HCOO]- 293.15068 183.4
[M+CH3COO]- 307.16633 200.6
[M+Na-2H]- 269.12715 161.6
[M]+ 248.15193 159.9
[M]- 248.15303 159.9
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.