CID 6453153

Au3rj3jc6l

Structural Information

Molecular Formula
C11H16N4O3
SMILES
C=CCOC1=NC(=NC(=N1)NCCO)OCC=C
InChI
InChI=1S/C11H16N4O3/c1-3-7-17-10-13-9(12-5-6-16)14-11(15-10)18-8-4-2/h3-4,16H,1-2,5-8H2,(H,12,13,14,15)
InChIKey
ANNMVJZJFWYKHV-UHFFFAOYSA-N
Compound name
2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12224 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.129516 157.2
[M+Na]+ 275.111458 164.7
[M-H]- 251.114964 155.2
[M+NH4]+ 270.156063 169.4
[M+K]+ 291.085398 161.1
[M+H-H2O]+ 235.119500 148.2
[M+HCOO]- 297.120441 177.6
[M+CH3COO]- 311.136091 194.7
[M+Na-2H]- 273.096906 162.9
[M]+ 252.12169142 160.3
[M]- 252.12278858 160.3
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

No patent data available for this compound.