CID 162818

57281-37-5

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC(C)NCCC(COC1=CC=CC2=CC=CC=C21)O
InChI
InChI=1S/C17H23NO2/c1-13(2)18-11-10-15(19)12-20-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,18-19H,10-12H2,1-2H3
InChIKey
IMYHAHXEGVXRLD-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

273.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 166.0
[M+Na]+ 296.16210 170.2
[M-H]- 272.16560 168.2
[M+NH4]+ 291.20670 182.1
[M+K]+ 312.13604 166.8
[M+H-H2O]+ 256.17014 158.8
[M+HCOO]- 318.17108 185.7
[M+CH3COO]- 332.18673 202.1
[M+Na-2H]- 294.14755 169.9
[M]+ 273.17233 166.9
[M]- 273.17343 166.9
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

patents stripe