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 213.3
[M+Na]+ 459.26180 216.6
[M-H]- 435.26530 215.3
[M+NH4]+ 454.30640 223.4
[M+K]+ 475.23574 211.1
[M+H-H2O]+ 419.26984 203.0
[M+HCOO]- 481.27078 218.4
[M+CH3COO]- 495.28643 226.8
[M+Na-2H]- 457.24725 217.6
[M]+ 436.27203 209.5
[M]- 436.27313 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.