CID 9667835

4-(2-(4-hydroxybenzoyl)carbohydrazonoyl)phenyl 2-iodobenzoate

Structural Information

Molecular Formula
C21H15IN2O4
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)O)I
InChI
InChI=1S/C21H15IN2O4/c22-19-4-2-1-3-18(19)21(27)28-17-11-5-14(6-12-17)13-23-24-20(26)15-7-9-16(25)10-8-15/h1-13,25H,(H,24,26)/b23-13+
InChIKey
BIXZHTIKEPIQPF-YDZHTSKRSA-N
Compound name
[4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.00766 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.01494 204.9
[M+Na]+ 508.99688 202.8
[M-H]- 485.00038 206.5
[M+NH4]+ 504.04148 210.3
[M+K]+ 524.97082 204.5
[M+H-H2O]+ 469.00492 190.6
[M+HCOO]- 531.00586 223.3
[M+CH3COO]- 545.02151 227.4
[M+Na-2H]- 506.98233 195.2
[M]+ 486.00711 202.3
[M]- 486.00821 202.3
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.