CID 30481

Butyrophenone, 4'-methoxy-6'-(2-morpholinoethoxy)-, hydrochloride

Structural Information

Molecular Formula
C17H25NO4
SMILES
CCCC(=O)C1=C(C=C(C=C1)OC)OCCN2CCOCC2
InChI
InChI=1S/C17H25NO4/c1-3-4-16(19)15-6-5-14(20-2)13-17(15)22-12-9-18-7-10-21-11-8-18/h5-6,13H,3-4,7-12H2,1-2H3
InChIKey
XBPWKADFMKVUPX-UHFFFAOYSA-N
Compound name
1-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.17834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18562 174.0
[M+Na]+ 330.16756 177.9
[M-H]- 306.17106 178.6
[M+NH4]+ 325.21216 185.7
[M+K]+ 346.14150 176.9
[M+H-H2O]+ 290.17560 164.8
[M+HCOO]- 352.17654 190.8
[M+CH3COO]- 366.19219 205.3
[M+Na-2H]- 328.15301 175.7
[M]+ 307.17779 176.1
[M]- 307.17889 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.