CID 508364

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

Structural Information

Molecular Formula
C30H45ClN2O6
SMILES
CCCCCCCCCCCCN1[C@@H](CC(=O)N(C1=O)C2=CC=C(C=C2)Cl)C3[C@@H](C4C(O3)OC(O4)(C)C)OC
InChI
InChI=1S/C30H45ClN2O6/c1-5-6-7-8-9-10-11-12-13-14-19-32-23(25-26(36-4)27-28(37-25)39-30(2,3)38-27)20-24(34)33(29(32)35)22-17-15-21(31)16-18-22/h15-18,23,25-28H,5-14,19-20H2,1-4H3/t23-,25?,26-,27?,28?/m0/s1
InChIKey
GAJNZXLFQUMNDU-LLGPELLRSA-N
Compound name
(6S)-3-(4-chlorophenyl)-1-dodecyl-6-[(6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

564.29663 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.30391 243.0
[M+Na]+ 587.28585 247.5
[M-H]- 563.28935 251.1
[M+NH4]+ 582.33045 248.1
[M+K]+ 603.25979 244.4
[M+H-H2O]+ 547.29389 235.2
[M+HCOO]- 609.29483 246.8
[M+CH3COO]- 623.31048 254.4
[M+Na-2H]- 585.27130 233.9
[M]+ 564.29608 251.9
[M]- 564.29718 251.9
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.