CID 9639425

4-methoxy-n-(2-oxo-2-(2-(2-(2-propynyloxy)benzylidene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C20H19N3O4
SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC=C2OCC#C
InChI
InChI=1S/C20H19N3O4/c1-3-12-27-18-7-5-4-6-16(18)13-22-23-19(24)14-21-20(25)15-8-10-17(26-2)11-9-15/h1,4-11,13H,12,14H2,2H3,(H,21,25)(H,23,24)/b22-13+
InChIKey
PWUAERKPLYTGAO-LPYMAVHISA-N
Compound name
4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.13754 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14482 191.9
[M+Na]+ 388.12676 198.2
[M-H]- 364.13026 196.2
[M+NH4]+ 383.17136 201.5
[M+K]+ 404.10070 193.3
[M+H-H2O]+ 348.13480 176.0
[M+HCOO]- 410.13574 211.4
[M+CH3COO]- 424.15139 227.6
[M+Na-2H]- 386.11221 192.7
[M]+ 365.13699 188.4
[M]- 365.13809 188.4
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.