CID 3025356

Ahr 226

Structural Information

Molecular Formula
C21H26ClNO
SMILES
CC(C)(C)N1CCC(C1)OC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H26ClNO/c1-21(2,3)23-14-13-19(15-23)24-20(16-7-5-4-6-8-16)17-9-11-18(22)12-10-17/h4-12,19-20H,13-15H2,1-3H3
InChIKey
UIPXASUPMLVUNE-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

343.1703 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17758 185.3
[M+Na]+ 366.15952 190.8
[M-H]- 342.16302 192.9
[M+NH4]+ 361.20412 199.6
[M+K]+ 382.13346 184.8
[M+H-H2O]+ 326.16756 176.7
[M+HCOO]- 388.16850 198.2
[M+CH3COO]- 402.18415 210.4
[M+Na-2H]- 364.14497 184.9
[M]+ 343.16975 185.9
[M]- 343.17085 185.9
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.