CID 9658275

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

Structural Information

Molecular Formula
C22H17IN2O4
SMILES
COC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3I
InChI
InChI=1S/C22H17IN2O4/c1-28-17-12-8-16(9-13-17)21(26)25-24-14-15-6-10-18(11-7-15)29-22(27)19-4-2-3-5-20(19)23/h2-14H,1H3,(H,25,26)/b24-14+
InChIKey
HKWNTOLXMFBPGX-ZVHZXABRSA-N
Compound name
[4-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.0233 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.03058 208.9
[M+Na]+ 523.01252 206.8
[M-H]- 499.01602 211.6
[M+NH4]+ 518.05712 214.4
[M+K]+ 538.98646 209.0
[M+H-H2O]+ 483.02056 194.0
[M+HCOO]- 545.02150 228.4
[M+CH3COO]- 559.03715 232.2
[M+Na-2H]- 520.99797 199.1
[M]+ 500.02275 208.2
[M]- 500.02385 208.2
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.