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]+ 411.264236 204.3
[M+Na]+ 433.246178 210.1
[M-H]- 409.249684 211.4
[M+NH4]+ 428.290783 210.6
[M+K]+ 449.220118 208.2
[M+H-H2O]+ 393.254220 189.9
[M+HCOO]- 455.255161 215.1
[M+CH3COO]- 469.270811 224.9
[M+Na-2H]- 431.231626 203.7
[M]+ 410.25641142 211.2
[M]- 410.25750858 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