CID 9630383

4-(2-(2-pyrazinylcarbonyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C21H18N4O5
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=NC=CN=C3)OC
InChI
InChI=1S/C21H18N4O5/c1-28-18-8-5-15(11-19(18)29-2)21(27)30-16-6-3-14(4-7-16)12-24-25-20(26)17-13-22-9-10-23-17/h3-13H,1-2H3,(H,25,26)/b24-12+
InChIKey
CHNOSMJLEGTHQY-WYMPLXKRSA-N
Compound name
[4-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.12772 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.13500 194.4
[M+Na]+ 429.11694 199.9
[M-H]- 405.12044 202.8
[M+NH4]+ 424.16154 201.3
[M+K]+ 445.09088 196.9
[M+H-H2O]+ 389.12498 181.8
[M+HCOO]- 451.12592 217.8
[M+CH3COO]- 465.14157 228.3
[M+Na-2H]- 427.10239 198.8
[M]+ 406.12717 198.9
[M]- 406.12827 198.9
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.