CID 9677788

4-ethoxy-n-(2-oxo-2-(2-(2,4,5-trimethoxybenzylidene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C21H25N3O6
SMILES
CCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=C(C=C2OC)OC)OC
InChI
InChI=1S/C21H25N3O6/c1-5-30-16-8-6-14(7-9-16)21(26)22-13-20(25)24-23-12-15-10-18(28-3)19(29-4)11-17(15)27-2/h6-12H,5,13H2,1-4H3,(H,22,26)(H,24,25)/b23-12+
InChIKey
HOQZLMNHUOZYKM-FSJBWODESA-N
Compound name
4-ethoxy-N-[2-oxo-2-[(2E)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.17435 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.18163 197.7
[M+Na]+ 438.16357 202.0
[M-H]- 414.16707 205.5
[M+NH4]+ 433.20817 207.5
[M+K]+ 454.13751 201.1
[M+H-H2O]+ 398.17161 187.1
[M+HCOO]- 460.17255 223.8
[M+CH3COO]- 474.18820 235.7
[M+Na-2H]- 436.14902 198.9
[M]+ 415.17380 205.2
[M]- 415.17490 205.2
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.