CID 120499

Alpha,alpha-diphenyl-1-pyrrolidinebutanol

Structural Information

Molecular Formula
C20H25NO
SMILES
C1CCN(C1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H25NO/c22-20(18-10-3-1-4-11-18,19-12-5-2-6-13-19)14-9-17-21-15-7-8-16-21/h1-6,10-13,22H,7-9,14-17H2
InChIKey
PRHJPDFGCQWXEB-UHFFFAOYSA-N
Compound name
1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

295.1936 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.200876 172.8
[M+Na]+ 318.182818 175.8
[M-H]- 294.186324 178.3
[M+NH4]+ 313.227423 186.8
[M+K]+ 334.156758 170.4
[M+H-H2O]+ 278.190860 163.7
[M+HCOO]- 340.191801 190.1
[M+CH3COO]- 354.207451 198.9
[M+Na-2H]- 316.168266 175.6
[M]+ 295.19305142 168.7
[M]- 295.19414858 168.7
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

patents stripe