CID 9636854

N-(2-(2-(4-chlorobenzylidene)hydrazino)-2-oxoethyl)-2-iodobenzamide

Structural Information

Molecular Formula
C16H13ClIN3O2
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)Cl)I
InChI
InChI=1S/C16H13ClIN3O2/c17-12-7-5-11(6-8-12)9-20-21-15(22)10-19-16(23)13-3-1-2-4-14(13)18/h1-9H,10H2,(H,19,23)(H,21,22)/b20-9+
InChIKey
ZCABVIXCMQRCRH-AWQFTUOYSA-N
Compound name
N-[2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.9741 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.98138 191.7
[M+Na]+ 463.96332 190.7
[M-H]- 439.96682 191.9
[M+NH4]+ 459.00792 200.8
[M+K]+ 479.93726 191.4
[M+H-H2O]+ 423.97136 179.6
[M+HCOO]- 485.97230 208.6
[M+CH3COO]- 499.98795 222.2
[M+Na-2H]- 461.94877 182.8
[M]+ 440.97355 190.6
[M]- 440.97465 190.6
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.