CID 121550

1938-43-8

Structural Information

Molecular Formula
C29H35NO4
SMILES
COC1=CC=C(C=C1)C(CN2CCCCC2)C(C3=CC=C(C=C3)OC)(C4=CC=C(C=C4)OC)O
InChI
InChI=1S/C29H35NO4/c1-32-25-13-7-22(8-14-25)28(21-30-19-5-4-6-20-30)29(31,23-9-15-26(33-2)16-10-23)24-11-17-27(34-3)18-12-24/h7-18,28,31H,4-6,19-21H2,1-3H3
InChIKey
RURQLYDQPQCZRC-UHFFFAOYSA-N
Compound name
1,1,2-tris(4-methoxyphenyl)-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.25662 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.26390 215.3
[M+Na]+ 484.24584 216.1
[M-H]- 460.24934 223.1
[M+NH4]+ 479.29044 219.9
[M+K]+ 500.21978 211.4
[M+H-H2O]+ 444.25388 202.8
[M+HCOO]- 506.25482 227.6
[M+CH3COO]- 520.27047 232.6
[M+Na-2H]- 482.23129 214.6
[M]+ 461.25607 213.6
[M]- 461.25717 213.6
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