CID 129318589

1-[4-(1,1-dimethylpropyl)phenyl]-4-[4-(diphenylmethoxy)piperidin-1-yl]butan-1-one hydrogen fumarate

Structural Information

Molecular Formula
C33H41NO2
SMILES
CCC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C33H41NO2/c1-4-33(2,3)29-19-17-26(18-20-29)31(35)16-11-23-34-24-21-30(22-25-34)36-32(27-12-7-5-8-13-27)28-14-9-6-10-15-28/h5-10,12-15,17-20,30,32H,4,11,16,21-25H2,1-3H3
InChIKey
HPKXAPGAMCZWKF-UHFFFAOYSA-N
Compound name
4-(4-benzhydryloxypiperidin-1-yl)-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.31372 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.32100 225.0
[M+Na]+ 506.30294 223.9
[M-H]- 482.30644 232.9
[M+NH4]+ 501.34754 229.0
[M+K]+ 522.27688 217.4
[M+H-H2O]+ 466.31098 211.8
[M+HCOO]- 528.31192 236.2
[M+CH3COO]- 542.32757 241.1
[M+Na-2H]- 504.28839 221.8
[M]+ 483.31317 221.8
[M]- 483.31427 221.8
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.