CID 3025248

Ahr 234

Structural Information

Molecular Formula
C24H24ClNO
SMILES
C1CN(CC1OC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4
InChI
InChI=1S/C24H24ClNO/c25-22-13-11-21(12-14-22)24(20-9-5-2-6-10-20)27-23-15-16-26(18-23)17-19-7-3-1-4-8-19/h1-14,23-24H,15-18H2
InChIKey
AUPVDIUOZIGAGC-UHFFFAOYSA-N
Compound name
1-benzyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.15463 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16191 192.9
[M+Na]+ 400.14385 197.7
[M-H]- 376.14735 202.8
[M+NH4]+ 395.18845 204.7
[M+K]+ 416.11779 190.0
[M+H-H2O]+ 360.15189 182.0
[M+HCOO]- 422.15283 207.3
[M+CH3COO]- 436.16848 201.7
[M+Na-2H]- 398.12930 191.9
[M]+ 377.15408 192.2
[M]- 377.15518 192.2
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.