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

4
Patents

248.18886 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.19614 163.1
[M+Na]+ 271.17808 166.9
[M-H]- 247.18158 165.4
[M+NH4]+ 266.22268 179.5
[M+K]+ 287.15202 164.0
[M+H-H2O]+ 231.18612 155.8
[M+HCOO]- 293.18706 185.5
[M+CH3COO]- 307.20271 202.0
[M+Na-2H]- 269.16353 164.3
[M]+ 248.18831 162.4
[M]- 248.18941 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