CID 3040918

53087-67-5

Structural Information

Molecular Formula
C27H38N2O
SMILES
CC(C)C1=CC=C(C=C1)C2(C(C(C2(C)C)N3CCN(CC3)C4=CC=CC=C4)(C)C)O
InChI
InChI=1S/C27H38N2O/c1-20(2)21-12-14-22(15-13-21)27(30)25(3,4)24(26(27,5)6)29-18-16-28(17-19-29)23-10-8-7-9-11-23/h7-15,20,24,30H,16-19H2,1-6H3
InChIKey
LZQCINCEAFYFSJ-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethyl-3-(4-phenylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

406.2984 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.305676 206.2
[M+Na]+ 429.287618 210.9
[M-H]- 405.291124 213.9
[M+NH4]+ 424.332223 213.1
[M+K]+ 445.261558 208.3
[M+H-H2O]+ 389.295660 191.2
[M+HCOO]- 451.296601 216.5
[M+CH3COO]- 465.312251 228.1
[M+Na-2H]- 427.273066 204.0
[M]+ 406.29785142 211.5
[M]- 406.29894858 211.5
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