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 198.7
[M+Na]+ 443.13259 203.8
[M-H]- 419.13609 206.9
[M+NH4]+ 438.17719 205.0
[M+K]+ 459.10653 200.6
[M+H-H2O]+ 403.14063 185.9
[M+HCOO]- 465.14157 221.8
[M+CH3COO]- 479.15722 231.2
[M+Na-2H]- 441.11804 202.6
[M]+ 420.14282 203.6
[M]- 420.14392 203.6
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.