CID 51060634

N-(2-(2-(2-(benzyloxy)benzylidene)hydrazino)-2-oxoethyl)-4-fluorobenzamide

Structural Information

Molecular Formula
C23H20FN3O3
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=O)CNC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H20FN3O3/c24-20-12-10-18(11-13-20)23(29)25-15-22(28)27-26-14-19-8-4-5-9-21(19)30-16-17-6-2-1-3-7-17/h1-14H,15-16H2,(H,25,29)(H,27,28)/b26-14+
InChIKey
JOWFTEFAKAUHFP-VULFUBBASA-N
Compound name
4-fluoro-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.14886 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.15614 195.8
[M+Na]+ 428.13808 199.3
[M-H]- 404.14158 204.6
[M+NH4]+ 423.18268 205.0
[M+K]+ 444.11202 194.6
[M+H-H2O]+ 388.14612 183.5
[M+HCOO]- 450.14706 220.8
[M+CH3COO]- 464.16271 231.0
[M+Na-2H]- 426.12353 199.0
[M]+ 405.14831 195.3
[M]- 405.14941 195.3
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.