CID 9637591

N-(2-(2-(2,3-dimethoxybenzylidene)hydrazino)-2-oxoethyl)-4-propoxybenzamide

Structural Information

Molecular Formula
C21H25N3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C(=CC=C2)OC)OC
InChI
InChI=1S/C21H25N3O5/c1-4-12-29-17-10-8-15(9-11-17)21(26)22-14-19(25)24-23-13-16-6-5-7-18(27-2)20(16)28-3/h5-11,13H,4,12,14H2,1-3H3,(H,22,26)(H,24,25)/b23-13+
InChIKey
SSCIDUCSQLCXJO-YDZHTSKRSA-N
Compound name
N-[2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1794 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.18668 195.2
[M+Na]+ 422.16862 198.9
[M-H]- 398.17212 202.6
[M+NH4]+ 417.21322 205.6
[M+K]+ 438.14256 197.1
[M+H-H2O]+ 382.17666 184.7
[M+HCOO]- 444.17760 221.2
[M+CH3COO]- 458.19325 232.1
[M+Na-2H]- 420.15407 197.0
[M]+ 399.17885 201.0
[M]- 399.17995 201.0
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.