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

984
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 196.1
[M+Na]+ 440.17919 200.1
[M-H]- 416.18269 194.8
[M+NH4]+ 435.22379 201.9
[M+K]+ 456.15313 198.0
[M+H-H2O]+ 400.18723 186.8
[M+HCOO]- 462.18817 209.5
[M+CH3COO]- 476.20382 228.1
[M+Na-2H]- 438.16464 191.0
[M]+ 417.18942 203.3
[M]- 417.19052 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