CID 3040917

Phenol, 4-(1-hydroxy-2,2,4,4-tetramethyl-3-(4-phenyl-1-piperazinyl)cyclobutyl)-, cis-

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CC1([C@H](C[C@]1(C2=CC=C(C=C2)O)O)N3CCN(CC3)C4=CC=CC=C4)C
InChI
InChI=1S/C22H28N2O2/c1-21(2)20(16-22(21,26)17-8-10-19(25)11-9-17)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-11,20,25-26H,12-16H2,1-2H3/t20-,22+/m0/s1
InChIKey
CPTORXYUTVFFGO-RBBKRZOGSA-N
Compound name
4-[(1R,3S)-1-hydroxy-2,2-dimethyl-3-(4-phenylpiperazin-1-yl)cyclobutyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 185.9
[M+Na]+ 375.20432 195.2
[M+NH4]+ 370.24892 192.1
[M+K]+ 391.17826 185.9
[M-H]- 351.20782 189.1
[M+Na-2H]- 373.18977 194.3
[M]+ 352.21455 187.3
[M]- 352.21565 187.3
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.