CID 70397

1,3,5-triazine, hexahydro-1,3,5-tris(1-oxo-2-propenyl)-

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
4
Annotation Hits

12
References

13906
Patents

249.11134 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.118616 156.1
[M+Na]+ 272.100558 162.3
[M-H]- 248.104064 155.0
[M+NH4]+ 267.145163 169.1
[M+K]+ 288.074498 159.3
[M+H-H2O]+ 232.108600 148.3
[M+HCOO]- 294.109541 170.4
[M+CH3COO]- 308.125191 193.7
[M+Na-2H]- 270.086006 155.3
[M]+ 249.11079142 153.3
[M]- 249.11188858 153.3
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