CID 3062425

1-butanone, 4-(4-(diphenylmethoxy)-1-piperidinyl)-1-(4-(1-methylethyl)phenyl)-

Structural Information

Molecular Formula
C31H37NO2
SMILES
CC(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C31H37NO2/c1-24(2)25-15-17-26(18-16-25)30(33)14-9-21-32-22-19-29(20-23-32)34-31(27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-13,15-18,24,29,31H,9,14,19-23H2,1-2H3
InChIKey
IPRBGNAVZDURLR-UHFFFAOYSA-N
Compound name
4-(4-benzhydryloxypiperidin-1-yl)-1-(4-propan-2-ylphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

455.28244 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.28972 216.9
[M+Na]+ 478.27166 216.0
[M-H]- 454.27516 225.0
[M+NH4]+ 473.31626 221.9
[M+K]+ 494.24560 209.8
[M+H-H2O]+ 438.27970 203.7
[M+HCOO]- 500.28064 229.4
[M+CH3COO]- 514.29629 235.8
[M+Na-2H]- 476.25711 212.6
[M]+ 455.28189 213.0
[M]- 455.28299 213.0
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

patents stripe