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]+ 307.201616 173.8
[M+Na]+ 329.183558 176.1
[M-H]- 305.187064 178.1
[M+NH4]+ 324.228163 187.1
[M+K]+ 345.157498 173.7
[M+H-H2O]+ 289.191600 165.8
[M+HCOO]- 351.192541 192.1
[M+CH3COO]- 365.208191 209.9
[M+Na-2H]- 327.169006 173.1
[M]+ 306.19379142 169.8
[M]- 306.19488858 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.