CID 211407

3-(o-methoxyphenoxy)-1-pyrrolidinepropanol carbanilate (ester) fumarate hydrate (2:1:1)

Structural Information

Molecular Formula
C21H26N2O4
SMILES
COC1=CC=CC=C1OC2CCN(C2)CCCOC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O4/c1-25-19-10-5-6-11-20(19)27-18-12-14-23(16-18)13-7-15-26-21(24)22-17-8-3-2-4-9-17/h2-6,8-11,18H,7,12-16H2,1H3,(H,22,24)
InChIKey
KZFULRFCNQHRER-UHFFFAOYSA-N
Compound name
3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18927 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19655 191.0
[M+Na]+ 393.17849 201.5
[M+NH4]+ 388.22309 197.1
[M+K]+ 409.15243 196.3
[M-H]- 369.18199 195.4
[M+Na-2H]- 391.16394 197.8
[M]+ 370.18872 193.4
[M]- 370.18982 193.4
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.