CID 203354

Ahr 209

Structural Information

Molecular Formula
C20H24ClNO
SMILES
CC(C)N1CCC(C1)OC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H24ClNO/c1-15(2)22-13-12-19(14-22)23-20(16-6-4-3-5-7-16)17-8-10-18(21)11-9-17/h3-11,15,19-20H,12-14H2,1-2H3
InChIKey
YSZALNAJBHLGFL-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)-phenylmethoxy]-1-propan-2-ylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

329.15463 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.16191 180.4
[M+Na]+ 352.14385 185.5
[M-H]- 328.14735 187.7
[M+NH4]+ 347.18845 194.9
[M+K]+ 368.11779 179.7
[M+H-H2O]+ 312.15189 171.4
[M+HCOO]- 374.15283 194.2
[M+CH3COO]- 388.16848 190.2
[M+Na-2H]- 350.12930 178.4
[M]+ 329.15408 180.5
[M]- 329.15518 180.5
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

patents stripe