CID 3080428

Brn 4337365

Structural Information

Molecular Formula
C21H24F2N4O3
SMILES
CN1CCN(CC1)CC(=O)NNC(=O)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O
InChI
InChI=1S/C21H24F2N4O3/c1-26-10-12-27(13-11-26)14-19(28)24-25-20(29)21(30,15-2-6-17(22)7-3-15)16-4-8-18(23)9-5-16/h2-9,30H,10-14H2,1H3,(H,24,28)(H,25,29)
InChIKey
AIYYQMPYLNMORD-UHFFFAOYSA-N
Compound name
2,2-bis(4-fluorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.18164 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.18892 198.0
[M+Na]+ 441.17086 200.6
[M-H]- 417.17436 200.1
[M+NH4]+ 436.21546 203.3
[M+K]+ 457.14480 195.4
[M+H-H2O]+ 401.17890 185.5
[M+HCOO]- 463.17984 210.1
[M+CH3COO]- 477.19549 227.0
[M+Na-2H]- 439.15631 198.4
[M]+ 418.18109 190.4
[M]- 418.18219 190.4
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.