CID 3044444

57263-18-0

Structural Information

Molecular Formula
C27H39N3O
SMILES
CC(C)CC1=CC=C(C=C1)C2(C(C(C2(C)C)N3CCN(CC3)C4=CC=CC=N4)(C)C)O
InChI
InChI=1S/C27H39N3O/c1-20(2)19-21-10-12-22(13-11-21)27(31)25(3,4)24(26(27,5)6)30-17-15-29(16-18-30)23-9-7-8-14-28-23/h7-14,20,24,31H,15-19H2,1-6H3
InChIKey
HKLGLJWHDDAUMZ-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethyl-1-[4-(2-methylpropyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

421.30933 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.31661 205.3
[M+Na]+ 444.29855 214.5
[M+NH4]+ 439.34315 212.0
[M+K]+ 460.27249 203.1
[M-H]- 420.30205 208.4
[M+Na-2H]- 442.28400 213.9
[M]+ 421.30878 207.0
[M]- 421.30988 207.0
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