CID 3065720

108661-71-8

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CC(C)N[C@@H]1CCC[C@@H]([C@H]1O)OC2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C17H26N2O3/c1-11(2)18-15-5-4-6-16(17(15)21)22-14-9-7-13(8-10-14)19-12(3)20/h7-11,15-18,21H,4-6H2,1-3H3,(H,19,20)/t15-,16+,17+/m1/s1
InChIKey
ACBBPCYXYMILET-IKGGRYGDSA-N
Compound name
N-[4-[(1S,2S,3R)-2-hydroxy-3-(propan-2-ylamino)cyclohexyl]oxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 173.8
[M+Na]+ 329.18356 176.1
[M-H]- 305.18706 178.1
[M+NH4]+ 324.22816 187.1
[M+K]+ 345.15750 173.7
[M+H-H2O]+ 289.19160 165.8
[M+HCOO]- 351.19254 192.1
[M+CH3COO]- 365.20819 209.9
[M+Na-2H]- 327.16901 173.1
[M]+ 306.19379 169.8
[M]- 306.19489 169.8
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.