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]+ 253.09314 155.8
[M+Na]+ 275.07508 165.0
[M+NH4]+ 270.11968 156.4
[M+K]+ 291.04902 158.9
[M-H]- 251.07858 146.0
[M+Na-2H]- 273.06053 155.7
[M]+ 252.08531 153.0
[M]- 252.08641 153.0
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.