CID 200028

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

Structural Information

Molecular Formula
C16H23NO3
SMILES
CCCOC1=CC=C(C=C1)C(=O)CCN2CCOCC2
InChI
InChI=1S/C16H23NO3/c1-2-11-20-15-5-3-14(4-6-15)16(18)7-8-17-9-12-19-13-10-17/h3-6H,2,7-13H2,1H3
InChIKey
GININFIMLWAZBV-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-1-(4-propoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 166.8
[M+Na]+ 300.15702 170.2
[M-H]- 276.16052 171.2
[M+NH4]+ 295.20162 179.5
[M+K]+ 316.13096 168.8
[M+H-H2O]+ 260.16506 157.7
[M+HCOO]- 322.16600 183.7
[M+CH3COO]- 336.18165 199.0
[M+Na-2H]- 298.14247 169.6
[M]+ 277.16725 166.7
[M]- 277.16835 166.7
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

patents stripe