CID 215563

35844-93-0

Structural Information

Molecular Formula
C21H27NO
SMILES
CC(C)(CN1CCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H27NO/c1-20(2,17-22-15-9-10-16-22)21(23,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,23H,9-10,15-17H2,1-2H3
InChIKey
LMQHSQYBOVXRGN-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,1-diphenyl-3-pyrrolidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 176.9
[M+Na]+ 332.19848 179.9
[M-H]- 308.20198 182.7
[M+NH4]+ 327.24308 190.5
[M+K]+ 348.17242 174.9
[M+H-H2O]+ 292.20652 168.4
[M+HCOO]- 354.20746 192.3
[M+CH3COO]- 368.22311 202.4
[M+Na-2H]- 330.18393 180.2
[M]+ 309.20871 172.8
[M]- 309.20981 172.8
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.