CID 3073755

152271-02-8

Structural Information

Molecular Formula
C19H31NO4
SMILES
CCCNCC(COC1=C(C=C(C=C1)C(=O)CC)COCCC)O
InChI
InChI=1S/C19H31NO4/c1-4-9-20-12-17(21)14-24-19-8-7-15(18(22)6-3)11-16(19)13-23-10-5-2/h7-8,11,17,20-21H,4-6,9-10,12-14H2,1-3H3
InChIKey
TTZIGRYGGNHIGS-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(propylamino)propoxy]-3-(propoxymethyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2253 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.23258 185.2
[M+Na]+ 360.21452 188.2
[M-H]- 336.21802 186.1
[M+NH4]+ 355.25912 197.8
[M+K]+ 376.18846 185.7
[M+H-H2O]+ 320.22256 177.2
[M+HCOO]- 382.22350 204.9
[M+CH3COO]- 396.23915 215.1
[M+Na-2H]- 358.19997 184.0
[M]+ 337.22475 190.6
[M]- 337.22585 190.6
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.