CID 3040925

Dtxsid20967606

Structural Information

Molecular Formula
C24H32N2O3
SMILES
CC1(C(C(C1(C2=CC=C(C=C2)O)O)(C)C)N3CCN(CC3)C4=CC=C(C=C4)O)C
InChI
InChI=1S/C24H32N2O3/c1-22(2)21(23(3,4)24(22,29)17-5-9-19(27)10-6-17)26-15-13-25(14-16-26)18-7-11-20(28)12-8-18/h5-12,21,27-29H,13-16H2,1-4H3
InChIKey
XRNMUHRWLPOQGM-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-3-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

396.2413 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.248576 202.0
[M+Na]+ 419.230518 207.9
[M-H]- 395.234024 208.0
[M+NH4]+ 414.275123 208.2
[M+K]+ 435.204458 205.4
[M+H-H2O]+ 379.238560 188.1
[M+HCOO]- 441.239501 211.6
[M+CH3COO]- 455.255151 220.0
[M+Na-2H]- 417.215966 201.3
[M]+ 396.24075142 206.9
[M]- 396.24184858 206.9
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

patents stripe