CID 3040923

53087-95-9

Structural Information

Molecular Formula
C25H34N2O3
SMILES
CC1(C(C(C1(C2=CC=C(C=C2)O)O)(C)C)N3CCN(CC3)C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C25H34N2O3/c1-23(2)22(24(3,4)25(23,29)18-6-10-20(28)11-7-18)27-16-14-26(15-17-27)19-8-12-21(30-5)13-9-19/h6-13,22,28-29H,14-17H2,1-5H3
InChIKey
YAZWBVRYLYKQLC-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,4-tetramethylcyclobutyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

410.25696 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.26424 200.0
[M+Na]+ 433.24618 209.0
[M+NH4]+ 428.29078 206.5
[M+K]+ 449.22012 198.5
[M-H]- 409.24968 202.8
[M+Na-2H]- 431.23163 208.4
[M]+ 410.25641 201.5
[M]- 410.25751 201.5
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

patents stripe