CID 9626906

2-iodo-n-(2-(2-(3-nitrobenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C16H13IN4O4
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-])I
InChI
InChI=1S/C16H13IN4O4/c17-14-7-2-1-6-13(14)16(23)18-10-15(22)20-19-9-11-4-3-5-12(8-11)21(24)25/h1-9H,10H2,(H,18,23)(H,20,22)/b19-9+
InChIKey
SRAXJJLKUUEGPR-DJKKODMXSA-N
Compound name
2-iodo-N-[2-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.99814 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.00542 199.2
[M+Na]+ 474.98736 195.3
[M-H]- 450.99086 199.2
[M+NH4]+ 470.03196 205.6
[M+K]+ 490.96130 194.4
[M+H-H2O]+ 434.99540 189.8
[M+HCOO]- 496.99634 220.8
[M+CH3COO]- 511.01199 219.5
[M+Na-2H]- 472.97281 191.7
[M]+ 451.99759 194.2
[M]- 451.99869 194.2
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.