CID 20507540

Dtxsid901033356

Structural Information

Molecular Formula
C18H27N3O6
SMILES
C1C(O1)CCCN2C(=O)N(C(=O)N(C2=O)CCCC3CO3)CCCC4CO4
InChI
InChI=1S/C18H27N3O6/c22-16-19(7-1-4-13-10-25-13)17(23)21(9-3-6-15-12-27-15)18(24)20(16)8-2-5-14-11-26-14/h13-15H,1-12H2
InChIKey
UVMLJTNJURWGQW-UHFFFAOYSA-N
Compound name
1,3,5-tris[3-(oxiran-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

157
Patents

381.18997 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.197246 221.5
[M+Na]+ 404.179188 226.2
[M-H]- 380.182694 228.8
[M+NH4]+ 399.223793 213.0
[M+K]+ 420.153128 225.0
[M+H-H2O]+ 364.187230 212.9
[M+HCOO]- 426.188171 230.5
[M+CH3COO]- 440.203821 231.7
[M+Na-2H]- 402.164636 216.2
[M]+ 381.18942142 231.3
[M]- 381.19051858 231.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe