CID 9620588

2-ethoxy-4-(2-isonicotinoylcarbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C23H21N3O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=NC=C2)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H21N3O5/c1-3-30-21-14-16(15-25-26-22(27)17-10-12-24-13-11-17)4-9-20(21)31-23(28)18-5-7-19(29-2)8-6-18/h4-15H,3H2,1-2H3,(H,26,27)/b25-15+
InChIKey
GJDVHKWDGWUDLU-MFKUBSTISA-N
Compound name
[2-ethoxy-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.14813 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.15541 199.5
[M+Na]+ 442.13735 204.2
[M-H]- 418.14085 208.8
[M+NH4]+ 437.18195 207.2
[M+K]+ 458.11129 201.2
[M+H-H2O]+ 402.14539 187.3
[M+HCOO]- 464.14633 223.6
[M+CH3COO]- 478.16198 231.4
[M+Na-2H]- 440.12280 202.5
[M]+ 419.14758 204.3
[M]- 419.14868 204.3
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.