CID 170286

(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)triethane-2,1-diyl trisprop-2-enoate

Structural Information

Molecular Formula
C18H21N3O9
SMILES
C=CC(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCOC(=O)C=C)CCOC(=O)C=C
InChI
InChI=1S/C18H21N3O9/c1-4-13(22)28-10-7-19-16(25)20(8-11-29-14(23)5-2)18(27)21(17(19)26)9-12-30-15(24)6-3/h4-6H,1-3,7-12H2
InChIKey
YIJYFLXQHDOQGW-UHFFFAOYSA-N
Compound name
2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

25131
Patents

423.12778 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.13506 184.8
[M+Na]+ 446.11700 193.4
[M-H]- 422.12050 184.8
[M+NH4]+ 441.16160 190.9
[M+K]+ 462.09094 190.7
[M+H-H2O]+ 406.12504 175.8
[M+HCOO]- 468.12598 202.9
[M+CH3COO]- 482.14163 225.6
[M+Na-2H]- 444.10245 183.2
[M]+ 423.12723 195.9
[M]- 423.12833 195.9
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