CID 3073751

152270-98-9

Structural Information

Molecular Formula
C18H29NO4
SMILES
CCCNCC(COC1=C(C=C(C=C1)C(=O)C)COCCC)O
InChI
InChI=1S/C18H29NO4/c1-4-8-19-11-17(21)13-23-18-7-6-15(14(3)20)10-16(18)12-22-9-5-2/h6-7,10,17,19,21H,4-5,8-9,11-13H2,1-3H3
InChIKey
KFJRWDSGXLCBSG-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(propylamino)propoxy]-3-(propoxymethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.20966 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.21694 180.3
[M+Na]+ 346.19888 188.7
[M+NH4]+ 341.24348 185.2
[M+K]+ 362.17282 183.3
[M-H]- 322.20238 180.3
[M+Na-2H]- 344.18433 182.6
[M]+ 323.20911 181.1
[M]- 323.21021 181.1
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.