CID 98456

63957-22-2

Structural Information

Molecular Formula
C16H23NO4
SMILES
CCC(=O)C1=CC=C(C=C1)OCC(CN2CCOCC2)O
InChI
InChI=1S/C16H23NO4/c1-2-16(19)13-3-5-15(6-4-13)21-12-14(18)11-17-7-9-20-10-8-17/h3-6,14,18H,2,7-12H2,1H3
InChIKey
OLGRRKKKZVVCNR-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

13
Patents

293.16272 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.169996 170.0
[M+Na]+ 316.151938 172.6
[M-H]- 292.155444 173.1
[M+NH4]+ 311.196543 181.1
[M+K]+ 332.125878 171.5
[M+H-H2O]+ 276.159980 161.2
[M+HCOO]- 338.160921 184.6
[M+CH3COO]- 352.176571 199.5
[M+Na-2H]- 314.137386 171.3
[M]+ 293.16217142 168.9
[M]- 293.16326858 168.9
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