CID 3075666

195256-71-4

Structural Information

Molecular Formula
C19H28N2O
SMILES
CC12CN3CC(C1=O)(CN(C2)C34C5CC6CC(C5)CC4C6)C
InChI
InChI=1S/C19H28N2O/c1-17-8-20-10-18(2,16(17)22)11-21(9-17)19(20)14-4-12-3-13(6-14)7-15(19)5-12/h12-15H,3-11H2,1-2H3
InChIKey
VUXOICNIGZQTQR-UHFFFAOYSA-N
Compound name
5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,2'-adamantane]-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.22015 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 167.7
[M+Na]+ 323.20937 164.0
[M-H]- 299.21287 156.0
[M+NH4]+ 318.25397 190.1
[M+K]+ 339.18331 157.8
[M+H-H2O]+ 283.21741 149.2
[M+HCOO]- 345.21835 155.5
[M+CH3COO]- 359.23400 168.6
[M+Na-2H]- 321.19482 174.9
[M]+ 300.21960 164.7
[M]- 300.22070 164.7
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.