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]+ 437.27986 208.4
[M+Na]+ 459.26180 219.4
[M+NH4]+ 454.30640 217.1
[M+K]+ 475.23574 209.2
[M-H]- 435.26530 210.7
[M+Na-2H]- 457.24725 215.9
[M]+ 436.27203 211.0
[M]- 436.27313 211.0
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

No patent data available for this compound.