CID 9620959

2-methyl-n-(2-oxo-2-(2-(2-(2-propynyloxy)benzylidene)hydrazino)ethyl)benzamide

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]+ 350.14992 190.2
[M+Na]+ 372.13186 196.7
[M-H]- 348.13536 194.6
[M+NH4]+ 367.17646 200.6
[M+K]+ 388.10580 191.1
[M+H-H2O]+ 332.13990 174.6
[M+HCOO]- 394.14084 209.6
[M+CH3COO]- 408.15649 225.6
[M+Na-2H]- 370.11731 190.8
[M]+ 349.14209 185.5
[M]- 349.14319 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.