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

184
Patents

381.18997 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.19725 221.5
[M+Na]+ 404.17919 226.2
[M-H]- 380.18269 228.8
[M+NH4]+ 399.22379 213.0
[M+K]+ 420.15313 225.0
[M+H-H2O]+ 364.18723 212.9
[M+HCOO]- 426.18817 230.5
[M+CH3COO]- 440.20382 231.7
[M+Na-2H]- 402.16464 216.2
[M]+ 381.18942 231.3
[M]- 381.19052 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