CID 199420

4150-98-5

Structural Information

Molecular Formula
C18H23NO2
SMILES
CC(CN1CCCC1)C(C2=CC=CC=C2)(C3=CC=CO3)O
InChI
InChI=1S/C18H23NO2/c1-15(14-19-11-5-6-12-19)18(20,17-10-7-13-21-17)16-8-3-2-4-9-16/h2-4,7-10,13,15,20H,5-6,11-12,14H2,1H3
InChIKey
NAIVYXOGSBLLPA-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 168.1
[M+Na]+ 308.16210 171.6
[M-H]- 284.16560 175.1
[M+NH4]+ 303.20670 183.1
[M+K]+ 324.13604 169.3
[M+H-H2O]+ 268.17014 160.8
[M+HCOO]- 330.17108 185.4
[M+CH3COO]- 344.18673 196.0
[M+Na-2H]- 306.14755 169.1
[M]+ 285.17233 165.8
[M]- 285.17343 165.8
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.