CID 111652

68845-21-6

Structural Information

Molecular Formula
C21H27N3O6
SMILES
CC(=C)C(=O)OCCC1=NC(=NC(=N1)CCOC(=O)C(=C)C)CCOC(=O)C(=C)C
InChI
InChI=1S/C21H27N3O6/c1-13(2)19(25)28-10-7-16-22-17(8-11-29-20(26)14(3)4)24-18(23-16)9-12-30-21(27)15(5)6/h1,3,5,7-12H2,2,4,6H3
InChIKey
AGEXUCKZTAUZJM-UHFFFAOYSA-N
Compound name
2-[4,6-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazin-2-yl]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

832
Patents

417.18997 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.197246 196.1
[M+Na]+ 440.179188 200.1
[M-H]- 416.182694 194.8
[M+NH4]+ 435.223793 201.9
[M+K]+ 456.153128 198.0
[M+H-H2O]+ 400.187230 186.8
[M+HCOO]- 462.188171 209.5
[M+CH3COO]- 476.203821 228.1
[M+Na-2H]- 438.164636 191.0
[M]+ 417.18942142 203.3
[M]- 417.19051858 203.3
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