CID 112700

4-amino-n-(2-ethylhexyl)benzamide

Structural Information

Molecular Formula
C15H24N2O
SMILES
CCCCC(CC)CNC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C15H24N2O/c1-3-5-6-12(4-2)11-17-15(18)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11,16H2,1-2H3,(H,17,18)
InChIKey
YDUZSNYLTSGMTE-UHFFFAOYSA-N
Compound name
4-amino-N-(2-ethylhexyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

248.18886 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.196136 163.1
[M+Na]+ 271.178078 166.9
[M-H]- 247.181584 165.4
[M+NH4]+ 266.222683 179.5
[M+K]+ 287.152018 164.0
[M+H-H2O]+ 231.186120 155.8
[M+HCOO]- 293.187061 185.5
[M+CH3COO]- 307.202711 202.0
[M+Na-2H]- 269.163526 164.3
[M]+ 248.18831142 162.4
[M]- 248.18940858 162.4
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

patents stripe