CID 497403

3-pyridazinecarbonitrile, 6-[4-[2-fluoro-4-[(5s)-5-[(3-isoxazolylamino)methyl]-2-oxo-3-oxazolidinyl]phenyl]-1-piperazinyl]-

Structural Information

Molecular Formula
C22H21FN8O3
SMILES
C1CN(CCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC4=NOC=C4)F)C5=NN=C(C=C5)C#N
InChI
InChI=1S/C22H21FN8O3/c23-18-11-16(31-14-17(34-22(31)32)13-25-20-5-10-33-28-20)2-3-19(18)29-6-8-30(9-7-29)21-4-1-15(12-24)26-27-21/h1-5,10-11,17H,6-9,13-14H2,(H,25,28)/t17-/m0/s1
InChIKey
PZRHNQWHZYRXJW-KRWDZBQOSA-N
Compound name
6-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]pyridazine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.17206 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.17934 195.6
[M+Na]+ 487.16128 202.6
[M-H]- 463.16478 198.7
[M+NH4]+ 482.20588 193.7
[M+K]+ 503.13522 195.7
[M+H-H2O]+ 447.16932 173.6
[M+HCOO]- 509.17026 202.2
[M+CH3COO]- 523.18591 199.6
[M+Na-2H]- 485.14673 191.0
[M]+ 464.17151 186.6
[M]- 464.17261 186.6
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.