CID 9622704

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

Structural Information

Molecular Formula
C23H18ClIN2O4
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2I)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H18ClIN2O4/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
CUDWNACGFDZDOY-VULFUBBASA-N
Compound name
[4-[(E)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.0 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.00728 217.9
[M+Na]+ 570.98922 216.0
[M-H]- 546.99272 220.4
[M+NH4]+ 566.03382 222.4
[M+K]+ 586.96316 217.1
[M+H-H2O]+ 530.99726 203.9
[M+HCOO]- 592.99820 232.0
[M+CH3COO]- 607.01385 238.9
[M+Na-2H]- 568.97467 206.4
[M]+ 547.99945 219.7
[M]- 548.00055 219.7
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.