CID 115321

72209-10-0

Structural Information

Molecular Formula
C18H22N2O8
SMILES
CCC1(C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C3=CC=CC=C3
InChI
InChI=1S/C18H22N2O8/c1-2-18(9-6-4-3-5-7-9)15(25)19-17(27)20(16(18)26)14-13(24)12(23)11(22)10(8-21)28-14/h3-7,10-14,21-24H,2,8H2,1H3,(H,19,25,27)/t10-,11-,12+,13-,14-,18?/m1/s1
InChIKey
KKRIJCSEOJCKLM-KBBLASEFSA-N
Compound name
5-ethyl-5-phenyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

6
Patents

394.1376 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14488 191.4
[M+Na]+ 417.12682 200.2
[M+NH4]+ 412.17142 194.5
[M+K]+ 433.10076 196.9
[M-H]- 393.13032 191.9
[M+Na-2H]- 415.11227 192.4
[M]+ 394.13705 192.3
[M]- 394.13815 192.3
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

patents stripe