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 204.3
[M+Na]+ 433.24618 210.1
[M-H]- 409.24968 211.4
[M+NH4]+ 428.29078 210.6
[M+K]+ 449.22012 208.2
[M+H-H2O]+ 393.25422 189.9
[M+HCOO]- 455.25516 215.1
[M+CH3COO]- 469.27081 224.9
[M+Na-2H]- 431.23163 203.7
[M]+ 410.25641 211.2
[M]- 410.25751 211.2
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