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]+ 336.23218 186.3
[M+Na]+ 358.21412 198.2
[M+NH4]+ 353.25872 194.3
[M+K]+ 374.18806 191.3
[M-H]- 334.21762 191.2
[M+Na-2H]- 356.19957 194.8
[M]+ 335.22435 189.5
[M]- 335.22545 189.5
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.