CID 45054813

765296-64-8

Structural Information

Molecular Formula
C23H29N3O4
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)OCCC
InChI
InChI=1S/C23H29N3O4/c1-3-5-15-30-20-10-6-18(7-11-20)16-25-26-22(27)17-24-23(28)19-8-12-21(13-9-19)29-14-4-2/h6-13,16H,3-5,14-15,17H2,1-2H3,(H,24,28)(H,26,27)/b25-16+
InChIKey
PTTWQXIKRLRNPQ-PCLIKHOPSA-N
Compound name
N-[2-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.21582 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.22310 201.3
[M+Na]+ 434.20504 203.4
[M-H]- 410.20854 208.0
[M+NH4]+ 429.24964 211.0
[M+K]+ 450.17898 200.4
[M+H-H2O]+ 394.21308 190.5
[M+HCOO]- 456.21402 226.5
[M+CH3COO]- 470.22967 234.5
[M+Na-2H]- 432.19049 202.6
[M]+ 411.21527 205.9
[M]- 411.21637 205.9
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.