CID 6861410

3,4,5-trimethoxy-n'-[(e)-(3-nitrophenyl)methylidene]benzohydrazide

Structural Information

Molecular Formula
C17H17N3O6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H17N3O6/c1-24-14-8-12(9-15(25-2)16(14)26-3)17(21)19-18-10-11-5-4-6-13(7-11)20(22)23/h4-10H,1-3H3,(H,19,21)/b18-10+
InChIKey
IRWQJZALPNFBKW-VCHYOVAHSA-N
Compound name
3,4,5-trimethoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.11172 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11900 180.9
[M+Na]+ 382.10094 192.8
[M+NH4]+ 377.14554 186.0
[M+K]+ 398.07488 190.0
[M-H]- 358.10444 185.7
[M+Na-2H]- 380.08639 187.2
[M]+ 359.11117 183.6
[M]- 359.11227 183.6
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.