CID 5338997

N-(4-bromophenyl)-4-(2-(3-nitrobenzylidene)hydrazino)-4-oxobutanamide

Structural Information

Molecular Formula
C17H15BrN4O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)CCC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C17H15BrN4O4/c18-13-4-6-14(7-5-13)20-16(23)8-9-17(24)21-19-11-12-2-1-3-15(10-12)22(25)26/h1-7,10-11H,8-9H2,(H,20,23)(H,21,24)/b19-11+
InChIKey
ZFAYTGUVPANXLI-YBFXNURJSA-N
Compound name
N-(4-bromophenyl)-N'-[(E)-(3-nitrophenyl)methylideneamino]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.02768 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.03496 186.9
[M+Na]+ 441.01690 188.0
[M+NH4]+ 436.06150 188.8
[M+K]+ 456.99084 190.3
[M-H]- 417.02040 190.2
[M+Na-2H]- 439.00235 189.9
[M]+ 418.02713 186.4
[M]- 418.02823 186.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.