CID 3040924

Dtxsid60967605

Structural Information

Molecular Formula
C26H36N2O3
SMILES
CC1(C(C(C1(C2=CC(=C(C=C2)OC)OC)O)(C)C)N3CCN(CC3)C4=CC=CC=C4)C
InChI
InChI=1S/C26H36N2O3/c1-24(2)23(28-16-14-27(15-17-28)20-10-8-7-9-11-20)25(3,4)26(24,29)19-12-13-21(30-5)22(18-19)31-6/h7-13,18,23,29H,14-17H2,1-6H3
InChIKey
SWHTXYDQCMPJCM-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-2,2,4,4-tetramethyl-3-(4-phenylpiperazin-1-yl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

424.27258 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.279856 206.7
[M+Na]+ 447.261798 212.5
[M-H]- 423.265304 214.8
[M+NH4]+ 442.306403 213.1
[M+K]+ 463.235738 211.1
[M+H-H2O]+ 407.269840 191.7
[M+HCOO]- 469.270781 218.6
[M+CH3COO]- 483.286431 229.7
[M+Na-2H]- 445.247246 206.0
[M]+ 424.27203142 215.5
[M]- 424.27312858 215.5
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