CID 199631

Brn 2216618

Structural Information

Molecular Formula
C17H23NO2
SMILES
CCCCNCC(COC1=CC=CC2=CC=CC=C21)O
InChI
InChI=1S/C17H23NO2/c1-2-3-11-18-12-15(19)13-20-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,15,18-19H,2-3,11-13H2,1H3
InChIKey
AITWWMQZEHPPKO-UHFFFAOYSA-N
Compound name
1-(butylamino)-3-naphthalen-1-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

273.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 165.3
[M+Na]+ 296.16210 169.9
[M-H]- 272.16560 167.5
[M+NH4]+ 291.20670 181.5
[M+K]+ 312.13604 165.9
[M+H-H2O]+ 256.17014 157.9
[M+HCOO]- 318.17108 186.0
[M+CH3COO]- 332.18673 201.2
[M+Na-2H]- 294.14755 170.5
[M]+ 273.17233 166.8
[M]- 273.17343 166.8
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

patents stripe