CID 45055339

2-ethoxy-4-(2-(2-iodobenzoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C24H21IN2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC=C2I)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H21IN2O5/c1-3-31-22-14-16(15-26-27-23(28)19-6-4-5-7-20(19)25)8-13-21(22)32-24(29)17-9-11-18(30-2)12-10-17/h4-15H,3H2,1-2H3,(H,27,28)/b26-15+
InChIKey
CGNMROIBIYBAOL-CVKSISIWSA-N
Compound name
[2-ethoxy-4-[(E)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.0495 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.05678 221.8
[M+Na]+ 567.03872 219.4
[M-H]- 543.04222 224.4
[M+NH4]+ 562.08332 225.7
[M+K]+ 583.01266 222.1
[M+H-H2O]+ 527.04676 206.4
[M+HCOO]- 589.04770 240.6
[M+CH3COO]- 603.06335 240.9
[M+Na-2H]- 565.02417 210.3
[M]+ 544.04895 223.4
[M]- 544.05005 223.4
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.