CID 51060506

4-(2-(2,4-dihydroxybenzoyl)carbohydrazonoyl)phenyl 2-iodobenzoate

Structural Information

Molecular Formula
C21H15IN2O5
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=C(C=C(C=C3)O)O)I
InChI
InChI=1S/C21H15IN2O5/c22-18-4-2-1-3-16(18)21(28)29-15-8-5-13(6-9-15)12-23-24-20(27)17-10-7-14(25)11-19(17)26/h1-12,25-26H,(H,24,27)/b23-12+
InChIKey
URCSSOSVRCUZJM-FSJBWODESA-N
Compound name
[4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.00256 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.00984 209.2
[M+Na]+ 524.99178 207.3
[M-H]- 500.99528 210.0
[M+NH4]+ 520.03638 213.5
[M+K]+ 540.96572 209.2
[M+H-H2O]+ 484.99982 195.0
[M+HCOO]- 547.00076 226.3
[M+CH3COO]- 561.01641 228.7
[M+Na-2H]- 522.97723 198.5
[M]+ 502.00201 206.6
[M]- 502.00311 206.6
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.