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 234.1
[M+Na]+ 613.05947 229.5
[M-H]- 589.06297 238.4
[M+NH4]+ 608.10407 235.0
[M+K]+ 629.03341 230.9
[M+H-H2O]+ 573.06751 217.2
[M+HCOO]- 635.06845 250.9
[M+CH3COO]- 649.08410 248.4
[M+Na-2H]- 611.04492 222.4
[M]+ 590.06970 232.0
[M]- 590.07080 232.0
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.