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
2
Annotation Hits

0
References

3635
Patents

465.17474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.182016 194.1
[M+Na]+ 488.163958 200.8
[M-H]- 464.167464 194.0
[M+NH4]+ 483.208563 219.7
[M+K]+ 504.137898 199.4
[M+H-H2O]+ 448.172000 185.7
[M+HCOO]- 510.172941 216.6
[M+CH3COO]- 524.188591 236.9
[M+Na-2H]- 486.149406 188.3
[M]+ 465.17419142 204.6
[M]- 465.17528858 204.6
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