CID 44688

63765-89-9

Structural Information

Molecular Formula
C23H29NO
SMILES
CCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN3CCCC3
InChI
InChI=1S/C23H29NO/c1-3-22(25)23(20-12-6-4-7-13-20,21-14-8-5-9-15-21)19(2)18-24-16-10-11-17-24/h4-9,12-15,19H,3,10-11,16-18H2,1-2H3
InChIKey
ZPRSVXOVKPKZDL-UHFFFAOYSA-N
Compound name
5-methyl-4,4-diphenyl-6-pyrrolidin-1-ylhexan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2249 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.232176 185.3
[M+Na]+ 358.214118 187.0
[M-H]- 334.217624 191.9
[M+NH4]+ 353.258723 198.0
[M+K]+ 374.188058 182.3
[M+H-H2O]+ 318.222160 175.8
[M+HCOO]- 380.223101 201.2
[M+CH3COO]- 394.238751 211.1
[M+Na-2H]- 356.199566 184.6
[M]+ 335.22435142 182.1
[M]- 335.22544858 182.1
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.