CID 508365

(6s)-1-hexadecyl-6-[(6s)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-phenyl-hexahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C34H54N2O6
SMILES
CCCCCCCCCCCCCCCCN1[C@@H](CC(=O)N(C1=O)C2=CC=CC=C2)C3[C@@H](C4C(O3)OC(O4)(C)C)OC
InChI
InChI=1S/C34H54N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-35-27(25-28(37)36(33(35)38)26-22-19-18-20-23-26)29-30(39-4)31-32(40-29)42-34(2,3)41-31/h18-20,22-23,27,29-32H,5-17,21,24-25H2,1-4H3/t27-,29?,30-,31?,32?/m0/s1
InChIKey
KJQKICDNFPDLCS-OGCWRKDYSA-N
Compound name
(6S)-1-hexadecyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-phenyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

586.3982 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.40548 251.2
[M+Na]+ 609.38742 252.4
[M-H]- 585.39092 258.3
[M+NH4]+ 604.43202 254.2
[M+K]+ 625.36136 249.9
[M+H-H2O]+ 569.39546 242.3
[M+HCOO]- 631.39640 258.3
[M+CH3COO]- 645.41205 261.0
[M+Na-2H]- 607.37287 241.4
[M]+ 586.39765 258.9
[M]- 586.39875 258.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.