CID 3025340

Valeramide, n-(5-(p-aminophenoxy)pentyl)-5-phenyl-

Structural Information

Molecular Formula
C22H30N2O2
SMILES
C1=CC=C(C=C1)CCCCC(=O)NCCCCCOC2=CC=C(C=C2)N
InChI
InChI=1S/C22H30N2O2/c23-20-13-15-21(16-14-20)26-18-8-2-7-17-24-22(25)12-6-5-11-19-9-3-1-4-10-19/h1,3-4,9-10,13-16H,2,5-8,11-12,17-18,23H2,(H,24,25)
InChIKey
YHWUSHJTTNWSAF-UHFFFAOYSA-N
Compound name
N-[5-(4-aminophenoxy)pentyl]-5-phenylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 189.4
[M+Na]+ 377.21996 191.4
[M-H]- 353.22346 193.8
[M+NH4]+ 372.26456 200.8
[M+K]+ 393.19390 186.4
[M+H-H2O]+ 337.22800 179.5
[M+HCOO]- 399.22894 212.0
[M+CH3COO]- 413.24459 219.8
[M+Na-2H]- 375.20541 190.9
[M]+ 354.23019 190.5
[M]- 354.23129 190.5
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.