CID 9606754

4-(2-(2-(4-bromophenoxy)propanoyl)carbohydrazonoyl)phenyl 2-iodobenzoate

Structural Information

Molecular Formula
C23H18BrIN2O4
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2I)OC3=CC=C(C=C3)Br
InChI
InChI=1S/C23H18BrIN2O4/c1-15(30-18-12-8-17(24)9-13-18)22(28)27-26-14-16-6-10-19(11-7-16)31-23(29)20-4-2-3-5-21(20)25/h2-15H,1H3,(H,27,28)/b26-14+
InChIKey
CXXMQTQJQVHHDL-VULFUBBASA-N
Compound name
[4-[(E)-[2-(4-bromophenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

591.94946 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.95674 221.1
[M+Na]+ 614.93868 220.5
[M-H]- 590.94218 225.5
[M+NH4]+ 609.98328 226.8
[M+K]+ 630.91262 215.3
[M+H-H2O]+ 574.94672 212.0
[M+HCOO]- 636.94766 236.6
[M+CH3COO]- 650.96331 241.5
[M+Na-2H]- 612.92413 211.1
[M]+ 591.94891 237.3
[M]- 591.95001 237.3
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.