CID 5746482

Brn 4701622

Structural Information

Molecular Formula
C10H12N4O4
SMILES
CCOC(=O)/C(=C\1/NC(=NC(=N1)OC)OC)/C#N
InChI
InChI=1S/C10H12N4O4/c1-4-18-8(15)6(5-11)7-12-9(16-2)14-10(13-7)17-3/h4H2,1-3H3,(H,12,13,14)
InChIKey
JISGLZBVPRVGDO-UHFFFAOYSA-N
Compound name
ethyl (2Z)-2-cyano-2-(4,6-dimethoxy-1H-1,3,5-triazin-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.08586 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.093136 150.7
[M+Na]+ 275.075078 158.8
[M-H]- 251.078584 148.2
[M+NH4]+ 270.119683 161.4
[M+K]+ 291.049018 157.8
[M+H-H2O]+ 235.083120 135.6
[M+HCOO]- 297.084061 164.0
[M+CH3COO]- 311.099711 201.0
[M+Na-2H]- 273.060526 153.2
[M]+ 252.08531142 146.9
[M]- 252.08640858 146.9
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.