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]+ 332.22203 182.4
[M+Na]+ 354.20397 181.9
[M-H]- 330.20747 192.2
[M+NH4]+ 349.24857 190.6
[M+K]+ 370.17791 182.2
[M+H-H2O]+ 314.21201 170.9
[M+HCOO]- 376.21295 190.7
[M+CH3COO]- 390.22860 189.5
[M+Na-2H]- 352.18942 184.4
[M]+ 331.21420 172.4
[M]- 331.21530 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.