CID 214073

1-pyrrolidinepropanol, alpha,alpha-diphenyl-beta-((isobutoxy)methyl)-, hydrochloride

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]+ 368.25841 193.6
[M+Na]+ 390.24035 194.0
[M-H]- 366.24385 198.6
[M+NH4]+ 385.28495 204.3
[M+K]+ 406.21429 189.5
[M+H-H2O]+ 350.24839 184.0
[M+HCOO]- 412.24933 207.7
[M+CH3COO]- 426.26498 214.3
[M+Na-2H]- 388.22580 192.2
[M]+ 367.25058 191.1
[M]- 367.25168 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.