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 188.6
[M+Na]+ 375.20432 193.2
[M-H]- 351.20782 195.0
[M+NH4]+ 370.24892 194.7
[M+K]+ 391.17826 190.6
[M+H-H2O]+ 335.21236 173.4
[M+HCOO]- 397.21330 200.3
[M+CH3COO]- 411.22895 196.1
[M+Na-2H]- 373.18977 189.4
[M]+ 352.21455 191.7
[M]- 352.21565 191.7
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.