CID 44797

4,4-diphenyl-7-pyrrolidinyl-3-heptanone

Structural Information

Molecular Formula
C23H29NO
SMILES
CCC(=O)C(CCCN1CCCC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO/c1-2-22(25)23(20-12-5-3-6-13-20,21-14-7-4-8-15-21)16-11-19-24-17-9-10-18-24/h3-8,12-15H,2,9-11,16-19H2,1H3
InChIKey
KMNOADCGBSOLGM-UHFFFAOYSA-N
Compound name
4,4-diphenyl-7-pyrrolidin-1-ylheptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2249 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.232176 185.6
[M+Na]+ 358.214118 187.7
[M-H]- 334.217624 192.1
[M+NH4]+ 353.258723 198.4
[M+K]+ 374.188058 182.3
[M+H-H2O]+ 318.222160 175.8
[M+HCOO]- 380.223101 202.6
[M+CH3COO]- 394.238751 210.3
[M+Na-2H]- 356.199566 186.0
[M]+ 335.22435142 183.0
[M]- 335.22544858 183.0
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.