CID 3063777

101578-28-3

Structural Information

Molecular Formula
C17H21N3O2
SMILES
C1=CC(=CN=C1)C(=O)NCCCCCOC2=CC=C(C=C2)N
InChI
InChI=1S/C17H21N3O2/c18-15-6-8-16(9-7-15)22-12-3-1-2-11-20-17(21)14-5-4-10-19-13-14/h4-10,13H,1-3,11-12,18H2,(H,20,21)
InChIKey
QXBPXLHGDYNBNE-UHFFFAOYSA-N
Compound name
N-[5-(4-aminophenoxy)pentyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

299.1634 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.170676 170.9
[M+Na]+ 322.152618 175.3
[M-H]- 298.156124 175.0
[M+NH4]+ 317.197223 183.3
[M+K]+ 338.126558 171.1
[M+H-H2O]+ 282.160660 161.2
[M+HCOO]- 344.161601 194.0
[M+CH3COO]- 358.177251 207.6
[M+Na-2H]- 320.138066 175.5
[M]+ 299.16285142 170.9
[M]- 299.16394858 170.9
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