CID 3040925

53087-97-1

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]+ 397.24858 202.0
[M+Na]+ 419.23052 207.9
[M-H]- 395.23402 208.0
[M+NH4]+ 414.27512 208.2
[M+K]+ 435.20446 205.4
[M+H-H2O]+ 379.23856 188.1
[M+HCOO]- 441.23950 211.6
[M+CH3COO]- 455.25515 220.0
[M+Na-2H]- 417.21597 201.3
[M]+ 396.24075 206.9
[M]- 396.24185 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