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]+ 324.216936 180.6
[M+Na]+ 346.198878 184.1
[M-H]- 322.202384 181.8
[M+NH4]+ 341.243483 193.9
[M+K]+ 362.172818 181.8
[M+H-H2O]+ 306.206920 172.9
[M+HCOO]- 368.207861 200.7
[M+CH3COO]- 382.223511 212.1
[M+Na-2H]- 344.184326 180.0
[M]+ 323.20911142 185.7
[M]- 323.21020858 185.7
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

No patent data available for this compound.