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 191.1
[M+Na]+ 395.14968 194.3
[M-H]- 371.15318 199.4
[M+NH4]+ 390.19428 203.8
[M+K]+ 411.12362 189.7
[M+H-H2O]+ 355.15772 181.2
[M+HCOO]- 417.15866 206.5
[M+CH3COO]- 431.17431 218.4
[M+Na-2H]- 393.13513 189.3
[M]+ 372.15991 192.4
[M]- 372.16101 192.4
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.