CID 68838

Butofilolol

Structural Information

Molecular Formula
C17H26FNO3
SMILES
CCCC(=O)C1=C(C=CC(=C1)F)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C17H26FNO3/c1-5-6-15(21)14-9-12(18)7-8-16(14)22-11-13(20)10-19-17(2,3)4/h7-9,13,19-20H,5-6,10-11H2,1-4H3
InChIKey
NMBNQRJDEPOXCP-UHFFFAOYSA-N
Compound name
1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorophenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

3102
Patents

311.18967 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19695 175.7
[M+Na]+ 334.17889 180.4
[M-H]- 310.18239 176.1
[M+NH4]+ 329.22349 189.7
[M+K]+ 350.15283 177.8
[M+H-H2O]+ 294.18693 168.3
[M+HCOO]- 356.18787 193.3
[M+CH3COO]- 370.20352 209.5
[M+Na-2H]- 332.16434 175.9
[M]+ 311.18912 177.3
[M]- 311.19022 177.3
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