CID 9595397

3,4-dimethoxy-n-(2-(2-(4-nitrobenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C18H18N4O6
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C18H18N4O6/c1-27-15-8-5-13(9-16(15)28-2)18(24)19-11-17(23)21-20-10-12-3-6-14(7-4-12)22(25)26/h3-10H,11H2,1-2H3,(H,19,24)(H,21,23)/b20-10+
InChIKey
NDEKGFCRLZPUSI-KEBDBYFISA-N
Compound name
3,4-dimethoxy-N-[2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.12262 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.12990 187.3
[M+Na]+ 409.11184 196.9
[M+NH4]+ 404.15644 191.2
[M+K]+ 425.08578 194.9
[M-H]- 385.11534 191.7
[M+Na-2H]- 407.09729 192.7
[M]+ 386.12207 189.2
[M]- 386.12317 189.2
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.