CID 20182

I.s. 3231

Structural Information

Molecular Formula
C27H36N2O3
SMILES
CC(C)(CO)N1CC2(CN(CC(C1)(C2=O)C3=CC=CC=C3)C(C)(C)CO)C4=CC=CC=C4
InChI
InChI=1S/C27H36N2O3/c1-24(2,19-30)28-15-26(21-11-7-5-8-12-21)17-29(25(3,4)20-31)18-27(16-28,23(26)32)22-13-9-6-10-14-22/h5-14,30-31H,15-20H2,1-4H3
InChIKey
DWULQFGSUUQXGP-UHFFFAOYSA-N
Compound name
3,7-bis(1-hydroxy-2-methylpropan-2-yl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.27258 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.279856 213.3
[M+Na]+ 459.261798 216.6
[M-H]- 435.265304 215.3
[M+NH4]+ 454.306403 223.4
[M+K]+ 475.235738 211.1
[M+H-H2O]+ 419.269840 203.0
[M+HCOO]- 481.270781 218.4
[M+CH3COO]- 495.286431 226.8
[M+Na-2H]- 457.247246 217.6
[M]+ 436.27203142 209.5
[M]- 436.27312858 209.5
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

No patent data available for this compound.