CID 9631958

1-(2-(((2-iodobenzoyl)amino)ac)carbohydrazonoyl)-2-naphthyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C27H18Cl2IN3O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)CNC(=O)C3=CC=CC=C3I)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C27H18Cl2IN3O4/c28-17-10-11-19(22(29)13-17)27(36)37-24-12-9-16-5-1-2-6-18(16)21(24)14-32-33-25(34)15-31-26(35)20-7-3-4-8-23(20)30/h1-14H,15H2,(H,31,35)(H,33,34)/b32-14+
InChIKey
UNFCSQWCKIXHPF-HIWRWHBISA-N
Compound name
[1-[(E)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

644.9719 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.97918 235.6
[M+Na]+ 667.96112 234.8
[M-H]- 643.96462 238.3
[M+NH4]+ 663.00572 238.0
[M+K]+ 683.93506 234.3
[M+H-H2O]+ 627.96916 222.0
[M+HCOO]- 689.97010 244.7
[M+CH3COO]- 703.98575 256.9
[M+Na-2H]- 665.94657 224.9
[M]+ 644.97135 238.9
[M]- 644.97245 238.9
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.