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 188.2
[M+Na]+ 393.17849 191.2
[M-H]- 369.18199 195.6
[M+NH4]+ 388.22309 199.6
[M+K]+ 409.15243 188.0
[M+H-H2O]+ 353.18653 177.8
[M+HCOO]- 415.18747 209.1
[M+CH3COO]- 429.20312 216.1
[M+Na-2H]- 391.16394 188.5
[M]+ 370.18872 189.6
[M]- 370.18982 189.6
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.