CID 70700402

Methyl 2-(4-(4-((4-((4-hydroxyphenyl)(phenyl)methyl)piperidin-1-yl)oxy)butyl)phenyl)-2-methylpropanoate

Structural Information

Molecular Formula
C33H41NO4
SMILES
CC(C)(C1=CC=C(C=C1)CCCCON2CCC(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)O)C(=O)OC
InChI
InChI=1S/C33H41NO4/c1-33(2,32(36)37-3)29-16-12-25(13-17-29)9-7-8-24-38-34-22-20-28(21-23-34)31(26-10-5-4-6-11-26)27-14-18-30(35)19-15-27/h4-6,10-19,28,31,35H,7-9,20-24H2,1-3H3
InChIKey
UETFAILCJZLHOM-UHFFFAOYSA-N
Compound name
methyl 2-[4-[4-[4-[(4-hydroxyphenyl)-phenylmethyl]piperidin-1-yl]oxybutyl]phenyl]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.3036 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.31088 230.7
[M+Na]+ 538.29282 229.7
[M-H]- 514.29632 237.8
[M+NH4]+ 533.33742 232.9
[M+K]+ 554.26676 224.4
[M+H-H2O]+ 498.30086 217.8
[M+HCOO]- 560.30180 240.8
[M+CH3COO]- 574.31745 243.6
[M+Na-2H]- 536.27827 227.0
[M]+ 515.30305 229.0
[M]- 515.30415 229.0
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.