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]+ 289.15468 168.1
[M+Na]+ 311.13662 172.8
[M-H]- 287.14012 174.6
[M+NH4]+ 306.18122 182.9
[M+K]+ 327.11056 170.6
[M+H-H2O]+ 271.14466 159.9
[M+HCOO]- 333.14560 192.9
[M+CH3COO]- 347.16125 204.0
[M+Na-2H]- 309.12207 171.4
[M]+ 288.14685 170.1
[M]- 288.14795 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.