CID 3056750

Propiophenone, 4'-isopentyloxy-3-morpholino-, hydrochloride

Structural Information

Molecular Formula
C18H27NO3
SMILES
CC(C)CCOC1=CC=C(C=C1)C(=O)CCN2CCOCC2
InChI
InChI=1S/C18H27NO3/c1-15(2)8-12-22-17-5-3-16(4-6-17)18(20)7-9-19-10-13-21-14-11-19/h3-6,15H,7-14H2,1-2H3
InChIKey
WFKOMSFBUZQUBA-UHFFFAOYSA-N
Compound name
1-[4-(3-methylbutoxy)phenyl]-3-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20638 176.1
[M+Na]+ 328.18832 178.4
[M-H]- 304.19182 180.2
[M+NH4]+ 323.23292 187.5
[M+K]+ 344.16226 177.0
[M+H-H2O]+ 288.19636 166.8
[M+HCOO]- 350.19730 191.3
[M+CH3COO]- 364.21295 205.8
[M+Na-2H]- 326.17377 176.7
[M]+ 305.19855 176.1
[M]- 305.19965 176.1
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.