CID 215822

1-(naphthyloxy)-3-(4-pyridylamino)-2-propanol

Structural Information

Molecular Formula
C18H18N2O2
SMILES
C1=CC=C2C(=C1)C=CC=C2OCC(CNC3=CC=NC=C3)O
InChI
InChI=1S/C18H18N2O2/c21-16(12-20-15-8-10-19-11-9-15)13-22-18-7-3-5-14-4-1-2-6-17(14)18/h1-11,16,21H,12-13H2,(H,19,20)
InChIKey
XMIMVIBPTXBMRV-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yloxy-3-(pyridin-4-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.144116 167.0
[M+Na]+ 317.126058 172.3
[M-H]- 293.129564 171.2
[M+NH4]+ 312.170663 180.2
[M+K]+ 333.099998 167.3
[M+H-H2O]+ 277.134100 157.6
[M+HCOO]- 339.135041 187.3
[M+CH3COO]- 353.150691 177.1
[M+Na-2H]- 315.111506 174.5
[M]+ 294.13629142 166.6
[M]- 294.13738858 166.6
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.