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 176.1
[M+Na]+ 338.12820 182.0
[M-H]- 314.13170 183.5
[M+NH4]+ 333.17280 191.3
[M+K]+ 354.10214 175.9
[M+H-H2O]+ 298.13624 167.1
[M+HCOO]- 360.13718 191.2
[M+CH3COO]- 374.15283 186.5
[M+Na-2H]- 336.11365 175.8
[M]+ 315.13843 176.4
[M]- 315.13953 176.4
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