CID 3076139

1-(1-naphthalenyloxy)-3-((1,1,2,2-tetramethylpropyl)amino)-2-propanol hydrochloride

Structural Information

Molecular Formula
C20H29NO2
SMILES
CC(C)(C)C(C)(C)NCC(COC1=CC=CC2=CC=CC=C21)O
InChI
InChI=1S/C20H29NO2/c1-19(2,3)20(4,5)21-13-16(22)14-23-18-12-8-10-15-9-6-7-11-17(15)18/h6-12,16,21-22H,13-14H2,1-5H3
InChIKey
BDQGAORRWAJQGX-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 179.6
[M+Na]+ 338.20904 183.7
[M-H]- 314.21254 181.8
[M+NH4]+ 333.25364 194.3
[M+K]+ 354.18298 180.3
[M+H-H2O]+ 298.21708 173.1
[M+HCOO]- 360.21802 196.0
[M+CH3COO]- 374.23367 210.5
[M+Na-2H]- 336.19449 184.9
[M]+ 315.21927 181.1
[M]- 315.22037 181.1
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.