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
1
Annotation Hits

0
References

982
Patents

417.18997 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.19725 196.0
[M+Na]+ 440.17919 202.7
[M+NH4]+ 435.22379 195.7
[M+K]+ 456.15313 201.2
[M-H]- 416.18269 190.7
[M+Na-2H]- 438.16464 194.8
[M]+ 417.18942 194.5
[M]- 417.19052 194.5
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