CID 9662516

4-(2-(3-pyridinylcarbonyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C22H19N3O4
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CN=CC=C3
InChI
InChI=1S/C22H19N3O4/c1-2-28-19-11-7-17(8-12-19)22(27)29-20-9-5-16(6-10-20)14-24-25-21(26)18-4-3-13-23-15-18/h3-15H,2H2,1H3,(H,25,26)/b24-14+
InChIKey
IPPRRDYSFRSLLK-ZVHZXABRSA-N
Compound name
[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.13754 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14482 192.1
[M+Na]+ 412.12676 196.7
[M-H]- 388.13026 201.3
[M+NH4]+ 407.17136 201.0
[M+K]+ 428.10070 193.0
[M+H-H2O]+ 372.13480 180.2
[M+HCOO]- 434.13574 216.5
[M+CH3COO]- 448.15139 225.0
[M+Na-2H]- 410.11221 196.3
[M]+ 389.13699 194.8
[M]- 389.13809 194.8
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.