CID 9611623

2-[2-(9-anthrylmethylene)hydrazino]-n-(4-ethylphenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C25H21N3O2
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=C3C=CC=CC3=CC4=CC=CC=C42
InChI
InChI=1S/C25H21N3O2/c1-2-17-11-13-20(14-12-17)27-24(29)25(30)28-26-16-23-21-9-5-3-7-18(21)15-19-8-4-6-10-22(19)23/h3-16H,2H2,1H3,(H,27,29)(H,28,30)/b26-16+
InChIKey
CLGBJJHSKSYFBY-WGOQTCKBSA-N
Compound name
N'-[(E)-anthracen-9-ylmethylideneamino]-N-(4-ethylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1634 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.17068 194.0
[M+Na]+ 418.15262 200.0
[M-H]- 394.15612 203.2
[M+NH4]+ 413.19722 206.3
[M+K]+ 434.12656 194.1
[M+H-H2O]+ 378.16066 183.4
[M+HCOO]- 440.16160 218.5
[M+CH3COO]- 454.17725 203.6
[M+Na-2H]- 416.13807 200.9
[M]+ 395.16285 195.6
[M]- 395.16395 195.6
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.