CID 9637781

769148-90-5

Structural Information

Molecular Formula
C22H20N4O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=NC=CN=C2)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H20N4O5/c1-3-30-20-12-15(13-25-26-21(27)18-14-23-10-11-24-18)4-9-19(20)31-22(28)16-5-7-17(29-2)8-6-16/h4-14H,3H2,1-2H3,(H,26,27)/b25-13+
InChIKey
SBBMGHLBPBULDF-DHRITJCHSA-N
Compound name
[2-ethoxy-4-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.14337 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15065 199.0
[M+Na]+ 443.13259 211.7
[M+NH4]+ 438.17719 203.0
[M+K]+ 459.10653 205.5
[M-H]- 419.13609 203.5
[M+Na-2H]- 441.11804 207.8
[M]+ 420.14282 201.7
[M]- 420.14392 201.7
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.