CID 18954865

Dtxsid90888692

Structural Information

Molecular Formula
C12H17N3O7
SMILES
C=CC(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCO)CCO
InChI
InChI=1S/C12H17N3O7/c1-2-9(18)22-8-5-15-11(20)13(3-6-16)10(19)14(4-7-17)12(15)21/h2,16-17H,1,3-8H2
InChIKey
UZABHAVVXZRIKK-UHFFFAOYSA-N
Compound name
2-[3,5-bis(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

315.10666 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11394 164.7
[M+Na]+ 338.09588 174.7
[M-H]- 314.09938 162.5
[M+NH4]+ 333.14048 174.3
[M+K]+ 354.06982 171.5
[M+H-H2O]+ 298.10392 156.6
[M+HCOO]- 360.10486 182.5
[M+CH3COO]- 374.12051 201.4
[M+Na-2H]- 336.08133 166.1
[M]+ 315.10611 171.2
[M]- 315.10721 171.2
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