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]+ 301.227426 167.7
[M+Na]+ 323.209368 164.0
[M-H]- 299.212874 156.0
[M+NH4]+ 318.253973 190.1
[M+K]+ 339.183308 157.8
[M+H-H2O]+ 283.217410 149.2
[M+HCOO]- 345.218351 155.5
[M+CH3COO]- 359.234001 168.6
[M+Na-2H]- 321.194816 174.9
[M]+ 300.21960142 164.7
[M]- 300.22069858 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.