CID 118878

Einecs 252-747-9

Structural Information

Molecular Formula
C21H27N3O9
SMILES
CC(=C)C(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCOC(=O)C(=C)C)CCOC(=O)C(=C)C
InChI
InChI=1S/C21H27N3O9/c1-13(2)16(25)31-10-7-22-19(28)23(8-11-32-17(26)14(3)4)21(30)24(20(22)29)9-12-33-18(27)15(5)6/h1,3,5,7-12H2,2,4,6H3
InChIKey
KUELXNNGRPADJL-UHFFFAOYSA-N
Compound name
2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2841
Patents

465.17474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.18202 199.0
[M+Na]+ 488.16396 214.8
[M+NH4]+ 483.20856 217.3
[M+K]+ 504.13790 213.7
[M-H]- 464.16746 214.9
[M+Na-2H]- 486.14941 195.9
[M]+ 465.17419 214.0
[M]- 465.17529 214.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe