CID 6479234

Methyl (2z)-2-[5-oxo-4-phenyl-3-(2-pyridyl)-1h-1,2,4-triazin-6-ylidene]acetate

Structural Information

Molecular Formula
C17H14N4O3
SMILES
COC(=O)/C=C\1/C(=O)N(C(=NN1)C2=CC=CC=N2)C3=CC=CC=C3
InChI
InChI=1S/C17H14N4O3/c1-24-15(22)11-14-17(23)21(12-7-3-2-4-8-12)16(20-19-14)13-9-5-6-10-18-13/h2-11,19H,1H3/b14-11-
InChIKey
GJABTZURESZRHE-KAMYIIQDSA-N
Compound name
methyl (2Z)-2-(5-oxo-4-phenyl-3-pyridin-2-yl-1H-1,2,4-triazin-6-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.1066 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.11388 176.8
[M+Na]+ 345.09582 184.0
[M-H]- 321.09932 179.6
[M+NH4]+ 340.14042 183.8
[M+K]+ 361.06976 177.5
[M+H-H2O]+ 305.10386 165.0
[M+HCOO]- 367.10480 191.6
[M+CH3COO]- 381.12045 185.3
[M+Na-2H]- 343.08127 180.0
[M]+ 322.10605 173.8
[M]- 322.10715 173.8
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.