CID 5726164

304908-34-7

Structural Information

Molecular Formula
C16H16N4O5
SMILES
CC(=O)OC1=C(C=C(C=C1OC)/C=N/NC(=O)C2=NC=CN=C2)OC
InChI
InChI=1S/C16H16N4O5/c1-10(21)25-15-13(23-2)6-11(7-14(15)24-3)8-19-20-16(22)12-9-17-4-5-18-12/h4-9H,1-3H3,(H,20,22)/b19-8+
InChIKey
SNYGZNAIIXDTJQ-UFWORHAWSA-N
Compound name
[2,6-dimethoxy-4-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.11206 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.119336 177.4
[M+Na]+ 367.101278 184.3
[M-H]- 343.104784 183.2
[M+NH4]+ 362.145883 187.7
[M+K]+ 383.075218 182.8
[M+H-H2O]+ 327.109320 166.7
[M+HCOO]- 389.110261 201.6
[M+CH3COO]- 403.125911 217.4
[M+Na-2H]- 365.086726 181.8
[M]+ 344.11151142 183.2
[M]- 344.11260858 183.2
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.