CID 40137

51808-79-8

Structural Information

Molecular Formula
C22H24N2O
SMILES
CC1=CC(=CC=C1)C23CN4CC(C2=O)(CN(C3)C4)C5=CC=CC(=C5)C
InChI
InChI=1S/C22H24N2O/c1-16-5-3-7-18(9-16)21-11-23-13-22(20(21)25,14-24(12-21)15-23)19-8-4-6-17(2)10-19/h3-10H,11-15H2,1-2H3
InChIKey
WGPQCVBRJDWFHW-UHFFFAOYSA-N
Compound name
5,7-bis(3-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.18887 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19615 182.6
[M+Na]+ 355.17809 197.1
[M+NH4]+ 350.22269 196.6
[M+K]+ 371.15203 183.0
[M-H]- 331.18159 185.0
[M+Na-2H]- 353.16354 185.6
[M]+ 332.18832 185.9
[M]- 332.18942 185.9
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.