CID 3025095

Ahr 211

Structural Information

Molecular Formula
C19H22ClNO
SMILES
CCN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H22ClNO/c1-2-21-13-12-18(14-21)22-19(15-6-4-3-5-7-15)16-8-10-17(20)11-9-16/h3-11,18-19H,2,12-14H2,1H3
InChIKey
BBRHZRBIAHBWDP-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)-phenylmethoxy]-1-ethylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

315.13898 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14626 175.7
[M+Na]+ 338.12820 190.3
[M+NH4]+ 333.17280 185.0
[M+K]+ 354.10214 182.6
[M-H]- 314.13170 181.7
[M+Na-2H]- 336.11365 184.8
[M]+ 315.13843 179.9
[M]- 315.13953 179.9
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.