CID 3025340

102556-31-0

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]+ 355.238016 189.4
[M+Na]+ 377.219958 191.4
[M-H]- 353.223464 193.8
[M+NH4]+ 372.264563 200.8
[M+K]+ 393.193898 186.4
[M+H-H2O]+ 337.228000 179.5
[M+HCOO]- 399.228941 212.0
[M+CH3COO]- 413.244591 219.8
[M+Na-2H]- 375.205406 190.9
[M]+ 354.23019142 190.5
[M]- 354.23128858 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.