CID 6868893

3,4-dimethoxy-n'-(4-nitrobenzylidene)benzohydrazide

Structural Information

Molecular Formula
C16H15N3O5
SMILES
COC1=C(C=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C16H15N3O5/c1-23-14-8-5-12(9-15(14)24-2)16(20)18-17-10-11-3-6-13(7-4-11)19(21)22/h3-10H,1-2H3,(H,18,20)/b17-10+
InChIKey
IBXVTWGJXYTFQY-LICLKQGHSA-N
Compound name
3,4-dimethoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.10117 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.108446 173.0
[M+Na]+ 352.090388 178.1
[M-H]- 328.093894 181.1
[M+NH4]+ 347.134993 185.6
[M+K]+ 368.064328 172.2
[M+H-H2O]+ 312.098430 168.1
[M+HCOO]- 374.099371 200.9
[M+CH3COO]- 388.115021 209.2
[M+Na-2H]- 350.075836 179.3
[M]+ 329.10062142 174.8
[M]- 329.10171858 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.