CID 201024

Bg 11 ga

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCCC(CCC)C(=O)NC1=CC=C(C=C1)OCC
InChI
InChI=1S/C16H25NO2/c1-4-7-13(8-5-2)16(18)17-14-9-11-15(12-10-14)19-6-3/h9-13H,4-8H2,1-3H3,(H,17,18)
InChIKey
BEHQTEMZHFAHLD-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 166.3
[M+Na]+ 286.17776 170.5
[M-H]- 262.18126 169.0
[M+NH4]+ 281.22236 182.7
[M+K]+ 302.15170 168.3
[M+H-H2O]+ 246.18580 159.1
[M+HCOO]- 308.18674 188.2
[M+CH3COO]- 322.20239 202.6
[M+Na-2H]- 284.16321 167.8
[M]+ 263.18799 169.2
[M]- 263.18909 169.2
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

patents stripe