CID 9623096

N-(2-oxo-2-(2-(2-(2-propynyloxy)benzylidene)hydrazino)ethyl)-4-propoxybenzamide

Structural Information

Molecular Formula
C22H23N3O4
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC=C2OCC#C
InChI
InChI=1S/C22H23N3O4/c1-3-13-28-19-11-9-17(10-12-19)22(27)23-16-21(26)25-24-15-18-7-5-6-8-20(18)29-14-4-2/h2,5-12,15H,3,13-14,16H2,1H3,(H,23,27)(H,25,26)/b24-15+
InChIKey
XFXZPHREEMFPHS-BUVRLJJBSA-N
Compound name
N-[2-oxo-2-[(2E)-2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.16885 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.17613 199.4
[M+Na]+ 416.15807 204.9
[M-H]- 392.16157 203.4
[M+NH4]+ 411.20267 208.0
[M+K]+ 432.13201 199.7
[M+H-H2O]+ 376.16611 183.2
[M+HCOO]- 438.16705 218.3
[M+CH3COO]- 452.18270 232.9
[M+Na-2H]- 414.14352 199.3
[M]+ 393.16830 196.6
[M]- 393.16940 196.6
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.