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]+ 296.20088 172.8
[M+Na]+ 318.18282 175.8
[M-H]- 294.18632 178.3
[M+NH4]+ 313.22742 186.8
[M+K]+ 334.15676 170.4
[M+H-H2O]+ 278.19086 163.7
[M+HCOO]- 340.19180 190.1
[M+CH3COO]- 354.20745 198.9
[M+Na-2H]- 316.16827 175.6
[M]+ 295.19305 168.7
[M]- 295.19415 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