CID 9629541

4-(2-(2-((1,1'-biphenyl)-4-yloxy)propanoyl)carbohydrazonoyl)ph 2-iodobenzoate

Structural Information

Molecular Formula
C29H23IN2O4
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2I)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H23IN2O4/c1-20(35-24-17-13-23(14-18-24)22-7-3-2-4-8-22)28(33)32-31-19-21-11-15-25(16-12-21)36-29(34)26-9-5-6-10-27(26)30/h2-20H,1H3,(H,32,33)/b31-19+
InChIKey
DNVZADLQXYOIEM-ZCTHSVRISA-N
Compound name
[4-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.07025 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.07753 241.5
[M+Na]+ 613.05947 247.5
[M+NH4]+ 608.10407 242.8
[M+K]+ 629.03341 241.2
[M-H]- 589.06297 243.6
[M+Na-2H]- 611.04492 238.7
[M]+ 590.06970 241.9
[M]- 590.07080 241.9
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.