CID 9636811

3,4-dimethoxy-n-(2-(2-(2-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=CC=C2[N+](=O)[O-])OC
InChI
InChI=1S/C18H18N4O6/c1-27-15-8-7-12(9-16(15)28-2)18(24)19-11-17(23)21-20-10-13-5-3-4-6-14(13)22(25)26/h3-10H,11H2,1-2H3,(H,19,24)(H,21,23)/b20-10+
InChIKey
GJQFSSKFQXMFHP-KEBDBYFISA-N
Compound name
3,4-dimethoxy-N-[2-[(2E)-2-[(2-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 186.1
[M+Na]+ 409.11184 189.1
[M-H]- 385.11534 193.7
[M+NH4]+ 404.15644 195.7
[M+K]+ 425.08578 183.7
[M+H-H2O]+ 369.11988 180.3
[M+HCOO]- 431.12082 213.6
[M+CH3COO]- 445.13647 221.7
[M+Na-2H]- 407.09729 191.3
[M]+ 386.12207 187.7
[M]- 386.12317 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.