CID 6321510

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

Structural Information

Molecular Formula
C26H23N3O4
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C3C=CC=CC3=CC4=CC=CC=C42)OC
InChI
InChI=1S/C26H23N3O4/c1-32-23-12-11-19(14-24(23)33-2)26(31)27-16-25(30)29-28-15-22-20-9-5-3-7-17(20)13-18-8-4-6-10-21(18)22/h3-15H,16H2,1-2H3,(H,27,31)(H,29,30)/b28-15+
InChIKey
UMMCPBDBAAPEKY-RWPZCVJISA-N
Compound name
N-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.16885 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.17613 204.5
[M+Na]+ 464.15807 210.2
[M-H]- 440.16157 213.8
[M+NH4]+ 459.20267 214.8
[M+K]+ 480.13201 206.0
[M+H-H2O]+ 424.16611 193.2
[M+HCOO]- 486.16705 228.8
[M+CH3COO]- 500.18270 241.3
[M+Na-2H]- 462.14352 210.5
[M]+ 441.16830 209.5
[M]- 441.16940 209.5
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.