CID 9625361

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

Structural Information

Molecular Formula
C19H16FN3O3
SMILES
C#CCOC1=CC=CC=C1/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C19H16FN3O3/c1-2-11-26-17-6-4-3-5-15(17)12-22-23-18(24)13-21-19(25)14-7-9-16(20)10-8-14/h1,3-10,12H,11,13H2,(H,21,25)(H,23,24)/b22-12+
InChIKey
BQWAGJQHKDVXRE-WSDLNYQXSA-N
Compound name
4-fluoro-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

353.11758 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.12486 187.1
[M+Na]+ 376.10680 194.0
[M-H]- 352.11030 190.3
[M+NH4]+ 371.15140 197.2
[M+K]+ 392.08074 188.3
[M+H-H2O]+ 336.11484 170.8
[M+HCOO]- 398.11578 205.9
[M+CH3COO]- 412.13143 225.3
[M+Na-2H]- 374.09225 187.8
[M]+ 353.11703 181.1
[M]- 353.11813 181.1
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.