CID 214073

27674-52-8

Structural Information

Molecular Formula
C24H33NO2
SMILES
CC(C)COCC(CN1CCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C24H33NO2/c1-20(2)18-27-19-23(17-25-15-9-10-16-25)24(26,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-14,20,23,26H,9-10,15-19H2,1-2H3
InChIKey
GKJVVARXJKYOFB-UHFFFAOYSA-N
Compound name
2-(2-methylpropoxymethyl)-1,1-diphenyl-3-pyrrolidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.25113 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.258406 193.6
[M+Na]+ 390.240348 194.0
[M-H]- 366.243854 198.6
[M+NH4]+ 385.284953 204.3
[M+K]+ 406.214288 189.5
[M+H-H2O]+ 350.248390 184.0
[M+HCOO]- 412.249331 207.7
[M+CH3COO]- 426.264981 214.3
[M+Na-2H]- 388.225796 192.2
[M]+ 367.25058142 191.1
[M]- 367.25167858 191.1
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.