CID 135648171

4-fluoro-n-(2-(2-(2-hydroxy-3-methoxybenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C17H16FN3O4
SMILES
COC1=CC=CC(=C1O)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C17H16FN3O4/c1-25-14-4-2-3-12(16(14)23)9-20-21-15(22)10-19-17(24)11-5-7-13(18)8-6-11/h2-9,23H,10H2,1H3,(H,19,24)(H,21,22)/b20-9+
InChIKey
ZBLZEVQPDZRXNP-AWQFTUOYSA-N
Compound name
4-fluoro-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1125 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.119776 177.6
[M+Na]+ 368.101718 183.0
[M-H]- 344.105224 183.1
[M+NH4]+ 363.146323 189.6
[M+K]+ 384.075658 180.0
[M+H-H2O]+ 328.109760 167.5
[M+HCOO]- 390.110701 202.3
[M+CH3COO]- 404.126351 218.5
[M+Na-2H]- 366.087166 180.3
[M]+ 345.11195142 177.7
[M]- 345.11304858 177.7
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.