CID 380029

R-4066 oxalate

Structural Information

Molecular Formula
C32H37NO
SMILES
CCC(=O)C(CCN1CCC2(CCCC3=CC=CC=C32)CC1)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H37NO/c1-2-30(34)32(27-14-5-3-6-15-27,28-16-7-4-8-17-28)22-25-33-23-20-31(21-24-33)19-11-13-26-12-9-10-18-29(26)31/h3-10,12,14-18H,2,11,13,19-25H2,1H3
InChIKey
ZVFXEHSJPKPKDW-UHFFFAOYSA-N
Compound name
4,4-diphenyl-6-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylhexan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

451.2875 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.29478 217.8
[M+Na]+ 474.27672 217.8
[M-H]- 450.28022 225.2
[M+NH4]+ 469.32132 226.1
[M+K]+ 490.25066 209.9
[M+H-H2O]+ 434.28476 203.9
[M+HCOO]- 496.28570 226.8
[M+CH3COO]- 510.30135 222.2
[M+Na-2H]- 472.26217 218.6
[M]+ 451.28695 209.7
[M]- 451.28805 209.7
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

patents stripe