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 150.7
[M+Na]+ 275.07508 158.8
[M-H]- 251.07858 148.2
[M+NH4]+ 270.11968 161.4
[M+K]+ 291.04902 157.8
[M+H-H2O]+ 235.08312 135.6
[M+HCOO]- 297.08406 164.0
[M+CH3COO]- 311.09971 201.0
[M+Na-2H]- 273.06053 153.2
[M]+ 252.08531 146.9
[M]- 252.08641 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.