CID 9611056

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

Structural Information

Molecular Formula
C22H17IN2O3
SMILES
CC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3I
InChI
InChI=1S/C22H17IN2O3/c1-15-6-10-17(11-7-15)21(26)25-24-14-16-8-12-18(13-9-16)28-22(27)19-4-2-3-5-20(19)23/h2-14H,1H3,(H,25,26)/b24-14+
InChIKey
PMCYBQZBNWHLAP-ZVHZXABRSA-N
Compound name
[4-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.02838 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.03566 204.8
[M+Na]+ 507.01760 203.0
[M-H]- 483.02110 207.5
[M+NH4]+ 502.06220 211.1
[M+K]+ 522.99154 204.5
[M+H-H2O]+ 467.02564 190.2
[M+HCOO]- 529.02658 224.2
[M+CH3COO]- 543.04223 230.2
[M+Na-2H]- 505.00305 195.0
[M]+ 484.02783 202.9
[M]- 484.02893 202.9
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.