CID 4646403

765275-65-8

Structural Information

Molecular Formula
C22H21N3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)NN=CC2=COC3=CC=CC=C3C2=O
InChI
InChI=1S/C22H21N3O5/c1-2-11-29-17-9-7-15(8-10-17)22(28)23-13-20(26)25-24-12-16-14-30-19-6-4-3-5-18(19)21(16)27/h3-10,12,14H,2,11,13H2,1H3,(H,23,28)(H,25,26)
InChIKey
COKHXENHAOFAAW-UHFFFAOYSA-N
Compound name
N-[2-oxo-2-[2-[(4-oxochromen-3-yl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.14813 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.15541 197.0
[M+Na]+ 430.13735 208.3
[M+NH4]+ 425.18195 201.8
[M+K]+ 446.11129 201.8
[M-H]- 406.14085 202.7
[M+Na-2H]- 428.12280 202.9
[M]+ 407.14758 199.8
[M]- 407.14868 199.8
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.