CID 211409

3-(o-methoxyphenoxy)-1-(2-(o-methoxyphenoxy)ethyl)-pyrrolidine fumarate (1:1)

Structural Information

Molecular Formula
C20H25NO4
SMILES
COC1=CC=CC=C1OCCN2CCC(C2)OC3=CC=CC=C3OC
InChI
InChI=1S/C20H25NO4/c1-22-17-7-3-5-9-19(17)24-14-13-21-12-11-16(15-21)25-20-10-6-4-8-18(20)23-2/h3-10,16H,11-15H2,1-2H3
InChIKey
AUYNHDWPVYHNRH-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenoxy)-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.17834 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 181.5
[M+Na]+ 366.16756 186.8
[M-H]- 342.17106 189.4
[M+NH4]+ 361.21216 194.8
[M+K]+ 382.14150 183.8
[M+H-H2O]+ 326.17560 171.6
[M+HCOO]- 388.17654 202.5
[M+CH3COO]- 402.19219 210.5
[M+Na-2H]- 364.15301 182.0
[M]+ 343.17779 185.2
[M]- 343.17889 185.2
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.