CID 9598834

4-(2-((4-methylphenoxy)acetyl)carbohydrazonoyl)phenyl 2-iodobenzoate

Structural Information

Molecular Formula
C23H19IN2O4
SMILES
CC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3I
InChI
InChI=1S/C23H19IN2O4/c1-16-6-10-18(11-7-16)29-15-22(27)26-25-14-17-8-12-19(13-9-17)30-23(28)20-4-2-3-5-21(20)24/h2-14H,15H2,1H3,(H,26,27)/b25-14+
InChIKey
GMADIQDUSSMGHR-AFUMVMLFSA-N
Compound name
[4-[(E)-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.03894 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.04622 218.6
[M+Na]+ 537.02816 223.6
[M+NH4]+ 532.07276 220.0
[M+K]+ 553.00210 218.4
[M-H]- 513.03166 218.4
[M+Na-2H]- 535.01361 214.0
[M]+ 514.03839 218.1
[M]- 514.03949 218.1
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.