CID 53422711

85896-25-9

Structural Information

Molecular Formula
C13H20N4O4
SMILES
C=CCOC1=NC(=NC(=N1)N(CCO)CCO)OCC=C
InChI
InChI=1S/C13H20N4O4/c1-3-9-20-12-14-11(17(5-7-18)6-8-19)15-13(16-12)21-10-4-2/h3-4,18-19H,1-2,5-10H2
InChIKey
YAQKVHDUVGFABU-UHFFFAOYSA-N
Compound name
2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14847 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.155746 168.5
[M+Na]+ 319.137688 174.7
[M-H]- 295.141194 166.3
[M+NH4]+ 314.182293 178.7
[M+K]+ 335.111628 171.8
[M+H-H2O]+ 279.145730 159.1
[M+HCOO]- 341.146671 187.5
[M+CH3COO]- 355.162321 203.7
[M+Na-2H]- 317.123136 172.2
[M]+ 296.14792142 173.2
[M]- 296.14901858 173.2
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

No patent data available for this compound.