CID 3073757

152271-08-4

Structural Information

Molecular Formula
C19H29NO4
SMILES
CCCOCC1=C(C=CC(=C1)C(=O)C)OCC(CN2CCCC2)O
InChI
InChI=1S/C19H29NO4/c1-3-10-23-13-17-11-16(15(2)21)6-7-19(17)24-14-18(22)12-20-8-4-5-9-20/h6-7,11,18,22H,3-5,8-10,12-14H2,1-2H3
InChIKey
GEPIHZHGSJYAEQ-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3-(propoxymethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.20966 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.216936 183.2
[M+Na]+ 358.198878 186.1
[M-H]- 334.202384 185.9
[M+NH4]+ 353.243483 196.2
[M+K]+ 374.172818 183.4
[M+H-H2O]+ 318.206920 174.8
[M+HCOO]- 380.207861 199.9
[M+CH3COO]- 394.223511 208.9
[M+Na-2H]- 356.184326 180.1
[M]+ 335.20911142 185.1
[M]- 335.21020858 185.1
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.