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 185.6
[M+Na]+ 358.21412 187.7
[M-H]- 334.21762 192.1
[M+NH4]+ 353.25872 198.4
[M+K]+ 374.18806 182.3
[M+H-H2O]+ 318.22216 175.8
[M+HCOO]- 380.22310 202.6
[M+CH3COO]- 394.23875 210.3
[M+Na-2H]- 356.19957 186.0
[M]+ 335.22435 183.0
[M]- 335.22545 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.