CID 51060945

N-(2-(2-(5-bromo-2-(2-propynyloxy)benzylidene)hydrazino)-2-oxoethyl)-4-fluorobenzamide

Structural Information

Molecular Formula
C19H15BrFN3O3
SMILES
C#CCOC1=C(C=C(C=C1)Br)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C19H15BrFN3O3/c1-2-9-27-17-8-5-15(20)10-14(17)11-23-24-18(25)12-22-19(26)13-3-6-16(21)7-4-13/h1,3-8,10-11H,9,12H2,(H,22,26)(H,24,25)/b23-11+
InChIKey
CFISWDYCQYLYDC-FOKLQQMPSA-N
Compound name
N-[2-[(2E)-2-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.02808 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.03536 192.6
[M+Na]+ 454.01730 202.4
[M-H]- 430.02080 196.8
[M+NH4]+ 449.06190 203.4
[M+K]+ 469.99124 188.5
[M+H-H2O]+ 414.02534 181.4
[M+HCOO]- 476.02628 210.9
[M+CH3COO]- 490.04193 232.7
[M+Na-2H]- 452.00275 193.4
[M]+ 431.02753 203.5
[M]- 431.02863 203.5
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.