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]+ 384.25331 196.3
[M+Na]+ 406.23525 197.3
[M-H]- 382.23875 200.0
[M+NH4]+ 401.27985 204.2
[M+K]+ 422.20919 192.3
[M+H-H2O]+ 366.24329 186.3
[M+HCOO]- 428.24423 207.8
[M+CH3COO]- 442.25988 216.2
[M+Na-2H]- 404.22070 196.1
[M]+ 383.24548 192.5
[M]- 383.24658 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.