CID 17142

1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(oxiranylmethyl)-

Structural Information

Molecular Formula
C12H15N3O6
SMILES
C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4
InChI
InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2
InChIKey
OUPZKGBUJRBPGC-UHFFFAOYSA-N
Compound name
1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

51
References

68851
Patents

297.0961 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10338 206.9
[M+Na]+ 320.08532 213.4
[M-H]- 296.08882 214.9
[M+NH4]+ 315.12992 200.6
[M+K]+ 336.05926 212.9
[M+H-H2O]+ 280.09336 198.8
[M+HCOO]- 342.09430 217.1
[M+CH3COO]- 356.10995 220.5
[M+Na-2H]- 318.07077 203.3
[M]+ 297.09555 215.4
[M]- 297.09665 215.4
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