CID 211409

Pyrrolidine, 3-(o-methoxyphenoxy)-1-(2-(o-methoxyphenoxy)ethyl)-, furmarate (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]+ 344.185616 181.5
[M+Na]+ 366.167558 186.8
[M-H]- 342.171064 189.4
[M+NH4]+ 361.212163 194.8
[M+K]+ 382.141498 183.8
[M+H-H2O]+ 326.175600 171.6
[M+HCOO]- 388.176541 202.5
[M+CH3COO]- 402.192191 210.5
[M+Na-2H]- 364.153006 182.0
[M]+ 343.17779142 185.2
[M]- 343.17888858 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.