CID 508363

(6s)-3-benzyl-1-heptyl-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
C26H38N2O6
SMILES
CCCCCCCN1[C@@H](CC(=O)N(C1=O)CC2=CC=CC=C2)C3[C@@H](C4C(O3)OC(O4)(C)C)OC
InChI
InChI=1S/C26H38N2O6/c1-5-6-7-8-12-15-27-19(21-22(31-4)23-24(32-21)34-26(2,3)33-23)16-20(29)28(25(27)30)17-18-13-10-9-11-14-18/h9-11,13-14,19,21-24H,5-8,12,15-17H2,1-4H3/t19-,21?,22-,23?,24?/m0/s1
InChIKey
LVSDCVDQZOLROB-FKJUHHTKSA-N
Compound name
(6S)-3-benzyl-1-heptyl-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

474.27298 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.28026 217.2
[M+Na]+ 497.26220 222.1
[M-H]- 473.26570 226.0
[M+NH4]+ 492.30680 225.0
[M+K]+ 513.23614 221.1
[M+H-H2O]+ 457.27024 209.6
[M+HCOO]- 519.27118 227.1
[M+CH3COO]- 533.28683 238.6
[M+Na-2H]- 495.24765 211.3
[M]+ 474.27243 222.5
[M]- 474.27353 222.5
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.