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 185.8
[M+Na]+ 441.01690 191.0
[M-H]- 417.02040 194.8
[M+NH4]+ 436.06150 197.6
[M+K]+ 456.99084 175.4
[M+H-H2O]+ 401.02494 184.7
[M+HCOO]- 463.02588 210.0
[M+CH3COO]- 477.04153 220.7
[M+Na-2H]- 439.00235 191.8
[M]+ 418.02713 202.7
[M]- 418.02823 202.7
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.