CID 214077

27674-54-0

Structural Information

Molecular Formula
C21H27NO2
SMILES
COCC(CN1CCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H27NO2/c1-24-17-20(16-22-14-8-9-15-22)21(23,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,20,23H,8-9,14-17H2,1H3
InChIKey
WJSSVHAYHXAGTF-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-1,1-diphenyl-3-pyrrolidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 180.4
[M+Na]+ 348.19342 182.5
[M-H]- 324.19692 185.9
[M+NH4]+ 343.23802 193.0
[M+K]+ 364.16736 178.0
[M+H-H2O]+ 308.20146 171.2
[M+HCOO]- 370.20240 196.6
[M+CH3COO]- 384.21805 204.7
[M+Na-2H]- 346.17887 181.7
[M]+ 325.20365 177.5
[M]- 325.20475 177.5
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.