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

0
Patents

299.1634 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17068 170.9
[M+Na]+ 322.15262 175.3
[M-H]- 298.15612 175.0
[M+NH4]+ 317.19722 183.3
[M+K]+ 338.12656 171.1
[M+H-H2O]+ 282.16066 161.2
[M+HCOO]- 344.16160 194.0
[M+CH3COO]- 358.17725 207.6
[M+Na-2H]- 320.13807 175.5
[M]+ 299.16285 170.9
[M]- 299.16395 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