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]+ 344.177576 185.3
[M+Na]+ 366.159518 190.8
[M-H]- 342.163024 192.9
[M+NH4]+ 361.204123 199.6
[M+K]+ 382.133458 184.8
[M+H-H2O]+ 326.167560 176.7
[M+HCOO]- 388.168501 198.2
[M+CH3COO]- 402.184151 210.4
[M+Na-2H]- 364.144966 184.9
[M]+ 343.16975142 185.9
[M]- 343.17084858 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.