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]+ 387.129896 186.1
[M+Na]+ 409.111838 189.1
[M-H]- 385.115344 193.7
[M+NH4]+ 404.156443 195.7
[M+K]+ 425.085778 183.7
[M+H-H2O]+ 369.119880 180.3
[M+HCOO]- 431.120821 213.6
[M+CH3COO]- 445.136471 221.7
[M+Na-2H]- 407.097286 191.3
[M]+ 386.12207142 187.7
[M]- 386.12316858 187.7
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.