CID 58559

101586-79-2

Structural Information

Molecular Formula
C16H20N2O3
SMILES
C1=COC(=C1)C(=O)NCCCCCOC2=CC=C(C=C2)N
InChI
InChI=1S/C16H20N2O3/c17-13-6-8-14(9-7-13)20-11-3-1-2-10-18-16(19)15-5-4-12-21-15/h4-9,12H,1-3,10-11,17H2,(H,18,19)
InChIKey
XNODCFOINLTORT-UHFFFAOYSA-N
Compound name
N-[5-(4-aminophenoxy)pentyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 168.1
[M+Na]+ 311.136618 172.8
[M-H]- 287.140124 174.6
[M+NH4]+ 306.181223 182.9
[M+K]+ 327.110558 170.6
[M+H-H2O]+ 271.144660 159.9
[M+HCOO]- 333.145601 192.9
[M+CH3COO]- 347.161251 204.0
[M+Na-2H]- 309.122066 171.4
[M]+ 288.14685142 170.1
[M]- 288.14794858 170.1
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.