CID 13498311

104450-43-3

Structural Information

Molecular Formula
C19H31NO4
SMILES
CC(C)OCC1=C(C=CC(=C1)C(=O)C)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C19H31NO4/c1-13(2)23-11-16-9-15(14(3)21)7-8-18(16)24-12-17(22)10-20-19(4,5)6/h7-9,13,17,20,22H,10-12H2,1-6H3
InChIKey
GHOPJZBOSTYCLJ-UHFFFAOYSA-N
Compound name
1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(propan-2-yloxymethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2253 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.23258 184.4
[M+Na]+ 360.21452 187.7
[M-H]- 336.21802 185.9
[M+NH4]+ 355.25912 197.3
[M+K]+ 376.18846 186.4
[M+H-H2O]+ 320.22256 177.5
[M+HCOO]- 382.22350 201.6
[M+CH3COO]- 396.23915 215.8
[M+Na-2H]- 358.19997 183.1
[M]+ 337.22475 188.7
[M]- 337.22585 188.7
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.