CID 40137

Brn 0706048

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]+ 333.196146 179.6
[M+Na]+ 355.178088 184.0
[M-H]- 331.181594 178.7
[M+NH4]+ 350.222693 199.1
[M+K]+ 371.152028 177.7
[M+H-H2O]+ 315.186130 165.9
[M+HCOO]- 377.187071 184.0
[M+CH3COO]- 391.202721 186.3
[M+Na-2H]- 353.163536 188.5
[M]+ 332.18832142 179.8
[M]- 332.18941858 179.8
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