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]+ 295.14412 167.0
[M+Na]+ 317.12606 172.3
[M-H]- 293.12956 171.2
[M+NH4]+ 312.17066 180.2
[M+K]+ 333.10000 167.3
[M+H-H2O]+ 277.13410 157.6
[M+HCOO]- 339.13504 187.3
[M+CH3COO]- 353.15069 177.1
[M+Na-2H]- 315.11151 174.5
[M]+ 294.13629 166.6
[M]- 294.13739 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.