CID 222008

4-ethoxy-n-(1-methylbutyl)benzamide

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCCC(C)NC(=O)C1=CC=C(C=C1)OCC
InChI
InChI=1S/C14H21NO2/c1-4-6-11(3)15-14(16)12-7-9-13(10-8-12)17-5-2/h7-11H,4-6H2,1-3H3,(H,15,16)
InChIKey
LUADNZBFAGDOJR-UHFFFAOYSA-N
Compound name
4-ethoxy-N-pentan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 157.0
[M+Na]+ 258.14645 162.1
[M-H]- 234.14995 160.1
[M+NH4]+ 253.19105 174.6
[M+K]+ 274.12039 160.4
[M+H-H2O]+ 218.15449 150.2
[M+HCOO]- 280.15543 179.6
[M+CH3COO]- 294.17108 196.6
[M+Na-2H]- 256.13190 159.6
[M]+ 235.15668 159.2
[M]- 235.15778 159.2
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.