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]+ 336.21694 183.2
[M+Na]+ 358.19888 186.1
[M-H]- 334.20238 185.9
[M+NH4]+ 353.24348 196.2
[M+K]+ 374.17282 183.4
[M+H-H2O]+ 318.20692 174.8
[M+HCOO]- 380.20786 199.9
[M+CH3COO]- 394.22351 208.9
[M+Na-2H]- 356.18433 180.1
[M]+ 335.20911 185.1
[M]- 335.21021 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.