CID 3052095

Anc-307

Structural Information

Molecular Formula
C20H29NO3
SMILES
C1CCC(CC1)C2(OCC(CO2)N3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C20H29NO3/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)23-15-19(16-24-20)21-11-13-22-14-12-21/h1,3-4,7-8,18-19H,2,5-6,9-16H2
InChIKey
PDJHHNSRXKUZGV-UHFFFAOYSA-N
Compound name
4-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.21475 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.222026 182.4
[M+Na]+ 354.203968 181.9
[M-H]- 330.207474 192.2
[M+NH4]+ 349.248573 190.6
[M+K]+ 370.177908 182.2
[M+H-H2O]+ 314.212010 170.9
[M+HCOO]- 376.212951 190.7
[M+CH3COO]- 390.228601 189.5
[M+Na-2H]- 352.189416 184.4
[M]+ 331.21420142 172.4
[M]- 331.21529858 172.4
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.