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]+ 308.20088 176.9
[M+Na]+ 330.18282 181.1
[M-H]- 306.18632 184.4
[M+NH4]+ 325.22742 193.1
[M+K]+ 346.15676 176.5
[M+H-H2O]+ 290.19086 167.7
[M+HCOO]- 352.19180 195.3
[M+CH3COO]- 366.20745 205.5
[M+Na-2H]- 328.16827 176.6
[M]+ 307.19305 174.2
[M]- 307.19415 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.