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]+ 394.176126 199.4
[M+Na]+ 416.158068 204.9
[M-H]- 392.161574 203.4
[M+NH4]+ 411.202673 208.0
[M+K]+ 432.132008 199.7
[M+H-H2O]+ 376.166110 183.2
[M+HCOO]- 438.167051 218.3
[M+CH3COO]- 452.182701 232.9
[M+Na-2H]- 414.143516 199.3
[M]+ 393.16830142 196.6
[M]- 393.16939858 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.