CID 71218

Anaxirone

Structural Information

Molecular Formula
C11H15N3O5
SMILES
C1C(O1)CN2C(=O)N(N(C2=O)CC3CO3)CC4CO4
InChI
InChI=1S/C11H15N3O5/c15-10-12(1-7-4-17-7)11(16)14(3-9-6-19-9)13(10)2-8-5-18-8/h7-9H,1-6H2
InChIKey
ZTXDHEQQZVFGPK-UHFFFAOYSA-N
Compound name
1,2,4-tris(oxiran-2-ylmethyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

24
References

2219
Patents

269.10117 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.108446 195.1
[M+Na]+ 292.090388 201.4
[M-H]- 268.093894 203.1
[M+NH4]+ 287.134993 190.8
[M+K]+ 308.064328 201.0
[M+H-H2O]+ 252.098430 188.3
[M+HCOO]- 314.099371 205.7
[M+CH3COO]- 328.115021 199.7
[M+Na-2H]- 290.075836 191.5
[M]+ 269.10062142 203.2
[M]- 269.10171858 203.2
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