CID 51060631

N-(2-(2-(2-chloro-5-nitrobenzylidene)hydrazino)-2-oxoethyl)-4-propoxybenzamide

Structural Information

Molecular Formula
C19H19ClN4O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C19H19ClN4O5/c1-2-9-29-16-6-3-13(4-7-16)19(26)21-12-18(25)23-22-11-14-10-15(24(27)28)5-8-17(14)20/h3-8,10-11H,2,9,12H2,1H3,(H,21,26)(H,23,25)/b22-11+
InChIKey
UBNGOGSRFRRVJS-SSDVNMTOSA-N
Compound name
N-[2-[(2E)-2-[(2-chloro-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1044 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.11168 197.1
[M+Na]+ 441.09362 200.4
[M-H]- 417.09712 204.2
[M+NH4]+ 436.13822 206.4
[M+K]+ 457.06756 192.6
[M+H-H2O]+ 401.10166 192.5
[M+HCOO]- 463.10260 219.6
[M+CH3COO]- 477.11825 225.9
[M+Na-2H]- 439.07907 200.7
[M]+ 418.10385 200.2
[M]- 418.10495 200.2
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.

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No patent data available for this compound.