CID 589130

1-(isopropylamino)-3-(1-naphthyloxy)-1,2-propanediol

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC(C)NC(C(COC1=CC=CC2=CC=CC=C21)O)O
InChI
InChI=1S/C16H21NO3/c1-11(2)17-16(19)14(18)10-20-15-9-5-7-12-6-3-4-8-13(12)15/h3-9,11,14,16-19H,10H2,1-2H3
InChIKey
MTOUNMISIAIJIU-UHFFFAOYSA-N
Compound name
3-naphthalen-1-yloxy-1-(propan-2-ylamino)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 164.6
[M+Na]+ 298.141348 168.4
[M-H]- 274.144854 165.7
[M+NH4]+ 293.185953 179.7
[M+K]+ 314.115288 165.7
[M+H-H2O]+ 258.149390 157.8
[M+HCOO]- 320.150331 182.3
[M+CH3COO]- 334.165981 199.7
[M+Na-2H]- 296.126796 167.4
[M]+ 275.15158142 164.1
[M]- 275.15267858 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.