CID 5412731

Acetic acid 2,6-dimethoxy-4-((pyrazine-2-carbonyl)-hydrazonomethyl)-phenyl ester

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-UWVJOHFNSA-N
Compound name
[2,6-dimethoxy-4-[(Z)-(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]+ 345.11934 177.4
[M+Na]+ 367.10128 184.3
[M-H]- 343.10478 183.2
[M+NH4]+ 362.14588 187.7
[M+K]+ 383.07522 182.8
[M+H-H2O]+ 327.10932 166.7
[M+HCOO]- 389.11026 201.6
[M+CH3COO]- 403.12591 217.4
[M+Na-2H]- 365.08673 181.8
[M]+ 344.11151 183.2
[M]- 344.11261 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.