CID 9687663

N-(2-(2-(9-anthrylmethylene)hydrazino)-2-oxoethyl)-3,4-dichlorobenzamide

Structural Information

Molecular Formula
C24H17Cl2N3O2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/NC(=O)CNC(=O)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H17Cl2N3O2/c25-21-10-9-17(12-22(21)26)24(31)27-14-23(30)29-28-13-20-18-7-3-1-5-15(18)11-16-6-2-4-8-19(16)20/h1-13H,14H2,(H,27,31)(H,29,30)/b28-13+
InChIKey
NZAJOPZPUJCZOO-XODNFHPESA-N
Compound name
N-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-3,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.0698 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.07708 203.7
[M+Na]+ 472.05902 212.4
[M-H]- 448.06252 212.4
[M+NH4]+ 467.10362 215.7
[M+K]+ 488.03296 204.5
[M+H-H2O]+ 432.06706 195.1
[M+HCOO]- 494.06800 219.3
[M+CH3COO]- 508.08365 212.9
[M+Na-2H]- 470.04447 209.1
[M]+ 449.06925 210.1
[M]- 449.07035 210.1
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.