CID 2760520

675602-70-7

Structural Information

Molecular Formula
C21H25ClN2O2
SMILES
CN(C(CN1CCCC1)C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C21H25ClN2O2/c1-23(21(25)26-16-17-7-3-2-4-8-17)20(15-24-13-5-6-14-24)18-9-11-19(22)12-10-18/h2-4,7-12,20H,5-6,13-16H2,1H3
InChIKey
NKFRUBGRRCMOOP-UHFFFAOYSA-N
Compound name
benzyl N-[1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.16046 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16774 189.7
[M+Na]+ 395.14968 201.6
[M+NH4]+ 390.19428 197.4
[M+K]+ 411.12362 195.5
[M-H]- 371.15318 195.2
[M+Na-2H]- 393.13513 197.7
[M]+ 372.15991 193.1
[M]- 372.16101 193.1
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.