CID 105995

67893-00-9

Structural Information

Molecular Formula
C18H21N3O6
SMILES
C=CC(=O)OCCC1=NC(=NC(=N1)CCOC(=O)C=C)CCOC(=O)C=C
InChI
InChI=1S/C18H21N3O6/c1-4-16(22)25-10-7-13-19-14(8-11-26-17(23)5-2)21-15(20-13)9-12-27-18(24)6-3/h4-6H,1-3,7-12H2
InChIKey
GAZROXINNVTWDF-UHFFFAOYSA-N
Compound name
2-[4,6-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazin-2-yl]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

375.14304 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15032 187.2
[M+Na]+ 398.13226 195.5
[M+NH4]+ 393.17686 187.7
[M+K]+ 414.10620 192.0
[M-H]- 374.13576 182.5
[M+Na-2H]- 396.11771 187.4
[M]+ 375.14249 186.2
[M]- 375.14359 186.2
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