CID 9570937

Benzoic acid, p-(3,4,5-trimethoxybenzamido)-, 2-furfurylidenehydrazide

Structural Information

Molecular Formula
C22H21N3O6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=CO3
InChI
InChI=1S/C22H21N3O6/c1-28-18-11-15(12-19(29-2)20(18)30-3)21(26)24-16-8-6-14(7-9-16)22(27)25-23-13-17-5-4-10-31-17/h4-13H,1-3H3,(H,24,26)(H,25,27)/b23-13+
InChIKey
CAWXDLJDYWSUQV-YDZHTSKRSA-N
Compound name
N-[4-[[(E)-furan-2-ylmethylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.14304 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.15032 200.0
[M+Na]+ 446.13226 204.9
[M-H]- 422.13576 212.2
[M+NH4]+ 441.17686 209.5
[M+K]+ 462.10620 204.3
[M+H-H2O]+ 406.14030 189.6
[M+HCOO]- 468.14124 226.9
[M+CH3COO]- 482.15689 234.8
[M+Na-2H]- 444.11771 201.6
[M]+ 423.14249 206.7
[M]- 423.14359 206.7
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.