CID 9688182

349609-22-9

Structural Information

Molecular Formula
C20H23N3O6
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C20H23N3O6/c1-26-15-7-5-13(9-17(15)28-3)11-22-23-19(24)12-21-20(25)14-6-8-16(27-2)18(10-14)29-4/h5-11H,12H2,1-4H3,(H,21,25)(H,23,24)/b22-11+
InChIKey
FTLXLQUAPCCWOI-SSDVNMTOSA-N
Compound name
N-[2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.165976 193.2
[M+Na]+ 424.147918 198.0
[M-H]- 400.151424 201.2
[M+NH4]+ 419.192523 203.7
[M+K]+ 440.121858 197.3
[M+H-H2O]+ 384.155960 182.9
[M+HCOO]- 446.156901 219.7
[M+CH3COO]- 460.172551 232.8
[M+Na-2H]- 422.133366 195.0
[M]+ 401.15815142 200.4
[M]- 401.15924858 200.4
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.