CID 3056858

3,3-dicyclohexyloctahydropyrid-(1,2-c)oxazine hydrochloride

Structural Information

Molecular Formula
C20H35NO
SMILES
C1CCC(CC1)C2(CC3CCCCN3CO2)C4CCCCC4
InChI
InChI=1S/C20H35NO/c1-3-9-17(10-4-1)20(18-11-5-2-6-12-18)15-19-13-7-8-14-21(19)16-22-20/h17-19H,1-16H2
InChIKey
KDEBQUZCFJBICS-UHFFFAOYSA-N
Compound name
3,3-dicyclohexyl-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.27185 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.27913 179.6
[M+Na]+ 328.26107 176.7
[M-H]- 304.26457 184.8
[M+NH4]+ 323.30567 192.6
[M+K]+ 344.23501 173.9
[M+H-H2O]+ 288.26911 168.3
[M+HCOO]- 350.27005 184.7
[M+CH3COO]- 364.28570 185.2
[M+Na-2H]- 326.24652 178.6
[M]+ 305.27130 163.7
[M]- 305.27240 163.7
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.