CID 146256

Xibenolol

Structural Information

Molecular Formula
C15H25NO2
SMILES
CC1=C(C(=CC=C1)OCC(CNC(C)(C)C)O)C
InChI
InChI=1S/C15H25NO2/c1-11-7-6-8-14(12(11)2)18-10-13(17)9-16-15(3,4)5/h6-8,13,16-17H,9-10H2,1-5H3
InChIKey
RKUQLAPSGZJLGP-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-(2,3-dimethylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

2625
Patents

251.18852 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.19580 162.0
[M+Na]+ 274.17774 172.1
[M+NH4]+ 269.22234 168.9
[M+K]+ 290.15168 166.8
[M-H]- 250.18124 163.2
[M+Na-2H]- 272.16319 166.5
[M]+ 251.18797 163.7
[M]- 251.18907 163.7
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