CID 9636666

4-ethoxy-n-(2-(2-(3-nitrobenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C18H18N4O5
SMILES
CCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C18H18N4O5/c1-2-27-16-8-6-14(7-9-16)18(24)19-12-17(23)21-20-11-13-4-3-5-15(10-13)22(25)26/h3-11H,2,12H2,1H3,(H,19,24)(H,21,23)/b20-11+
InChIKey
QPAZRGWAYSBOMB-RGVLZGJSSA-N
Compound name
4-ethoxy-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

370.12772 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13500 183.4
[M+Na]+ 393.11694 185.8
[M-H]- 369.12044 190.6
[M+NH4]+ 388.16154 193.5
[M+K]+ 409.09088 179.5
[M+H-H2O]+ 353.12498 177.7
[M+HCOO]- 415.12592 210.8
[M+CH3COO]- 429.14157 218.2
[M+Na-2H]- 391.10239 188.9
[M]+ 370.12717 183.3
[M]- 370.12827 183.3
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.