CID 9620959

765307-16-2

Structural Information

Molecular Formula
C20H19N3O3
SMILES
CC1=CC=CC=C1C(=O)NCC(=O)N/N=C/C2=CC=CC=C2OCC#C
InChI
InChI=1S/C20H19N3O3/c1-3-12-26-18-11-7-5-9-16(18)13-22-23-19(24)14-21-20(25)17-10-6-4-8-15(17)2/h1,4-11,13H,12,14H2,2H3,(H,21,25)(H,23,24)/b22-13+
InChIKey
QLYCHDZWNADKCW-LPYMAVHISA-N
Compound name
2-methyl-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

349.14264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.149916 190.2
[M+Na]+ 372.131858 196.7
[M-H]- 348.135364 194.6
[M+NH4]+ 367.176463 200.6
[M+K]+ 388.105798 191.1
[M+H-H2O]+ 332.139900 174.6
[M+HCOO]- 394.140841 209.6
[M+CH3COO]- 408.156491 225.6
[M+Na-2H]- 370.117306 190.8
[M]+ 349.14209142 185.5
[M]- 349.14318858 185.5
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.