CID 3025339

Ahr 180

Structural Information

Molecular Formula
C20H24ClNO
SMILES
CCCN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H24ClNO/c1-2-13-22-14-12-19(15-22)23-20(16-6-4-3-5-7-16)17-8-10-18(21)11-9-17/h3-11,19-20H,2,12-15H2,1H3
InChIKey
BEYALOBSZVDYJF-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)-phenylmethoxy]-1-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.15463 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.16191 180.7
[M+Na]+ 352.14385 186.1
[M-H]- 328.14735 187.9
[M+NH4]+ 347.18845 195.3
[M+K]+ 368.11779 179.8
[M+H-H2O]+ 312.15189 171.5
[M+HCOO]- 374.15283 195.5
[M+CH3COO]- 388.16848 190.6
[M+Na-2H]- 350.12930 179.8
[M]+ 329.15408 181.3
[M]- 329.15518 181.3
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.