CID 3044445

57263-46-4

Structural Information

Molecular Formula
C28H40N2O
SMILES
CC(C)CC1=CC=C(C=C1)C2(C(C(C2(C)C)N3CCN(CC3)C4=CC=CC=C4)(C)C)O
InChI
InChI=1S/C28H40N2O/c1-21(2)20-22-12-14-23(15-13-22)28(31)26(3,4)25(27(28,5)6)30-18-16-29(17-19-30)24-10-8-7-9-11-24/h7-15,21,25,31H,16-20H2,1-6H3
InChIKey
PLIPYKCWWBZGET-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethyl-1-[4-(2-methylpropyl)phenyl]-3-(4-phenylpiperazin-1-yl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

420.31406 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.32134 210.4
[M+Na]+ 443.30328 214.7
[M-H]- 419.30678 217.8
[M+NH4]+ 438.34788 216.8
[M+K]+ 459.27722 211.9
[M+H-H2O]+ 403.31132 195.2
[M+HCOO]- 465.31226 220.4
[M+CH3COO]- 479.32791 230.9
[M+Na-2H]- 441.28873 207.7
[M]+ 420.31351 216.0
[M]- 420.31461 216.0
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