CID 13337422

88770-87-0

Structural Information

Molecular Formula
C24H33NO3
SMILES
CC(C)(CC1=CC=C(C=C1)O)C(C2=CC=CC=C2OCCN3CCCCC3)O
InChI
InChI=1S/C24H33NO3/c1-24(2,18-19-10-12-20(26)13-11-19)23(27)21-8-4-5-9-22(21)28-17-16-25-14-6-3-7-15-25/h4-5,8-13,23,26-27H,3,6-7,14-18H2,1-2H3
InChIKey
UZPYIAJFYBXDTO-UHFFFAOYSA-N
Compound name
4-[3-hydroxy-2,2-dimethyl-3-[2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.24603 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.253306 196.3
[M+Na]+ 406.235248 197.3
[M-H]- 382.238754 200.0
[M+NH4]+ 401.279853 204.2
[M+K]+ 422.209188 192.3
[M+H-H2O]+ 366.243290 186.3
[M+HCOO]- 428.244231 207.8
[M+CH3COO]- 442.259881 216.2
[M+Na-2H]- 404.220696 196.1
[M]+ 383.24548142 192.5
[M]- 383.24657858 192.5
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.