CID 70397

959-52-4

Structural Information

Molecular Formula
C12H15N3O3
SMILES
C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C
InChI
InChI=1S/C12H15N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-6H,1-3,7-9H2
InChIKey
FYBFGAFWCBMEDG-UHFFFAOYSA-N
Compound name
1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

11905
Patents

249.11134 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11862 158.6
[M+Na]+ 272.10056 167.0
[M+NH4]+ 267.14516 161.8
[M+K]+ 288.07450 163.5
[M-H]- 248.10406 155.1
[M+Na-2H]- 270.08601 158.9
[M]+ 249.11079 158.0
[M]- 249.11189 158.0
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