CID 13931

1025-15-6

Structural Information

Molecular Formula
C12H15N3O3
SMILES
C=CCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C
InChI
InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2
InChIKey
KOMNUTZXSVSERR-UHFFFAOYSA-N
Compound name
1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

17
References

89172
Patents

249.11134 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11862 151.4
[M+Na]+ 272.10056 163.9
[M-H]- 248.10406 152.0
[M+NH4]+ 267.14516 165.6
[M+K]+ 288.07450 158.6
[M+H-H2O]+ 232.10860 143.8
[M+HCOO]- 294.10954 172.7
[M+CH3COO]- 308.12519 196.0
[M+Na-2H]- 270.08601 154.7
[M]+ 249.11079 156.1
[M]- 249.11189 156.1
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