CID 10458835

157604-55-2

Structural Information

Molecular Formula
C30H35NO6
SMILES
COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)OCCN4CCC[C@@H](C4)C(=O)O
InChI
InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1
InChIKey
VDLDUZLDZBVOAS-QFIPXVFZSA-N
Compound name
(3S)-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

45
References

65
Patents

505.24643 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.25371 225.1
[M+Na]+ 528.23565 237.7
[M+NH4]+ 523.28025 229.8
[M+K]+ 544.20959 230.7
[M-H]- 504.23915 230.7
[M+Na-2H]- 526.22110 233.2
[M]+ 505.24588 228.5
[M]- 505.24698 228.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe