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 179.6
[M+Na]+ 355.17809 184.0
[M-H]- 331.18159 178.7
[M+NH4]+ 350.22269 199.1
[M+K]+ 371.15203 177.7
[M+H-H2O]+ 315.18613 165.9
[M+HCOO]- 377.18707 184.0
[M+CH3COO]- 391.20272 186.3
[M+Na-2H]- 353.16354 188.5
[M]+ 332.18832 179.8
[M]- 332.18942 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