CID 211400

23026-52-0

Structural Information

Molecular Formula
C21H25NO4
SMILES
COC1=CC=CC=C1OC2CCN(C2)CCCOC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO4/c1-24-19-10-5-6-11-20(19)26-18-12-14-22(16-18)13-7-15-25-21(23)17-8-3-2-4-9-17/h2-6,8-11,18H,7,12-16H2,1H3
InChIKey
WPRKZKZSTXEDGR-UHFFFAOYSA-N
Compound name
3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.17834 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18562 185.6
[M+Na]+ 378.16756 189.6
[M-H]- 354.17106 193.0
[M+NH4]+ 373.21216 198.0
[M+K]+ 394.14150 186.3
[M+H-H2O]+ 338.17560 175.6
[M+HCOO]- 400.17654 205.5
[M+CH3COO]- 414.19219 211.7
[M+Na-2H]- 376.15301 185.1
[M]+ 355.17779 187.8
[M]- 355.17889 187.8
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.