CID 9636804

339006-93-8

Structural Information

Molecular Formula
C21H25N3O7
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=C(C(=C2)OC)OC)OC)OC
InChI
InChI=1S/C21H25N3O7/c1-27-15-7-6-14(10-16(15)28-2)21(26)22-12-19(25)24-23-11-13-8-17(29-3)20(31-5)18(9-13)30-4/h6-11H,12H2,1-5H3,(H,22,26)(H,24,25)/b23-11+
InChIKey
FMYCRUHQHOKJKN-FOKLQQMPSA-N
Compound name
3,4-dimethoxy-N-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.16925 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.17653 199.9
[M+Na]+ 454.15847 204.8
[M-H]- 430.16197 208.0
[M+NH4]+ 449.20307 209.2
[M+K]+ 470.13241 204.9
[M+H-H2O]+ 414.16651 189.3
[M+HCOO]- 476.16745 226.1
[M+CH3COO]- 490.18310 239.3
[M+Na-2H]- 452.14392 200.7
[M]+ 431.16870 209.3
[M]- 431.16980 209.3
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.