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]+ 407.30568 206.2
[M+Na]+ 429.28762 210.9
[M-H]- 405.29112 213.9
[M+NH4]+ 424.33222 213.1
[M+K]+ 445.26156 208.3
[M+H-H2O]+ 389.29566 191.2
[M+HCOO]- 451.29660 216.5
[M+CH3COO]- 465.31225 228.1
[M+Na-2H]- 427.27307 204.0
[M]+ 406.29785 211.5
[M]- 406.29895 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