CID 3025359

Substanz nr. 2135

Structural Information

Molecular Formula
C20H24ClNO
SMILES
CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCN3CCCC3
InChI
InChI=1S/C20H24ClNO/c1-20(17-7-3-2-4-8-17,18-9-11-19(21)12-10-18)23-16-15-22-13-5-6-14-22/h2-4,7-12H,5-6,13-16H2,1H3
InChIKey
XINIQAUPXOVUCJ-UHFFFAOYSA-N
Compound name
1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.15463 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.16191 181.3
[M+Na]+ 352.14385 186.5
[M-H]- 328.14735 188.3
[M+NH4]+ 347.18845 195.7
[M+K]+ 368.11779 180.1
[M+H-H2O]+ 312.15189 172.2
[M+HCOO]- 374.15283 195.4
[M+CH3COO]- 388.16848 206.2
[M+Na-2H]- 350.12930 183.0
[M]+ 329.15408 181.6
[M]- 329.15518 181.6
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