CID 218328

40493-21-8

Structural Information

Molecular Formula
C21H25NO
SMILES
CC1(CCCN1CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C21H25NO/c1-21(2)14-9-15-22(21)16-19(17-10-5-3-6-11-17)20(23)18-12-7-4-8-13-18/h3-8,10-13,19H,9,14-16H2,1-2H3
InChIKey
DUAUTSJXAPRLPZ-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylpyrrolidin-1-yl)-1,2-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.200876 176.9
[M+Na]+ 330.182818 181.1
[M-H]- 306.186324 184.4
[M+NH4]+ 325.227423 193.1
[M+K]+ 346.156758 176.5
[M+H-H2O]+ 290.190860 167.7
[M+HCOO]- 352.191801 195.3
[M+CH3COO]- 366.207451 205.5
[M+Na-2H]- 328.168266 176.6
[M]+ 307.19305142 174.2
[M]- 307.19414858 174.2
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.