CID 508367

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

Structural Information

Molecular Formula
C23H23ClN2O6
SMILES
CC1(OC2[C@H](C(OC2O1)[C@@H]3CC(=O)N(C(=O)N3)C4=CC=C(C=C4)Cl)OC5=CC=CC=C5)C
InChI
InChI=1S/C23H23ClN2O6/c1-23(2)31-20-19(29-15-6-4-3-5-7-15)18(30-21(20)32-23)16-12-17(27)26(22(28)25-16)14-10-8-13(24)9-11-14/h3-11,16,18-21H,12H2,1-2H3,(H,25,28)/t16-,18?,19-,20?,21?/m0/s1
InChIKey
YGAQALZHFJDMHQ-JFTNXMGPSA-N
Compound name
(6S)-3-(4-chlorophenyl)-6-[(6S)-2,2-dimethyl-6-phenoxy-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

458.12445 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.13173 207.3
[M+Na]+ 481.11367 215.2
[M-H]- 457.11717 219.1
[M+NH4]+ 476.15827 215.4
[M+K]+ 497.08761 212.8
[M+H-H2O]+ 441.12171 199.4
[M+HCOO]- 503.12265 213.5
[M+CH3COO]- 517.13830 215.9
[M+Na-2H]- 479.09912 203.1
[M]+ 458.12390 209.8
[M]- 458.12500 209.8
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.