CID 3057784

Brn 1395365

Structural Information

Molecular Formula
C18H27NO4
SMILES
CCC(=O)OC1(CCN(C1C)CCOCCO)C2=CC=CC=C2
InChI
InChI=1S/C18H27NO4/c1-3-17(21)23-18(16-7-5-4-6-8-16)9-10-19(15(18)2)11-13-22-14-12-20/h4-8,15,20H,3,9-14H2,1-2H3
InChIKey
VESLVDYMKPUAJK-UHFFFAOYSA-N
Compound name
[1-[2-(2-hydroxyethoxy)ethyl]-2-methyl-3-phenylpyrrolidin-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.194 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.20128 177.8
[M+Na]+ 344.18322 182.6
[M-H]- 320.18672 181.0
[M+NH4]+ 339.22782 193.7
[M+K]+ 360.15716 179.8
[M+H-H2O]+ 304.19126 170.4
[M+HCOO]- 366.19220 196.0
[M+CH3COO]- 380.20785 203.9
[M+Na-2H]- 342.16867 177.7
[M]+ 321.19345 180.3
[M]- 321.19455 180.3
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

patents stripe