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

20
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 185.4
[M+Na]+ 398.13226 191.3
[M-H]- 374.13576 184.2
[M+NH4]+ 393.17686 193.0
[M+K]+ 414.10620 188.1
[M+H-H2O]+ 358.14030 175.7
[M+HCOO]- 420.14124 202.5
[M+CH3COO]- 434.15689 216.7
[M+Na-2H]- 396.11771 184.8
[M]+ 375.14249 193.1
[M]- 375.14359 193.1
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