CID 497399

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

Structural Information

Molecular Formula
C23H22FN9O2
SMILES
C1CN(CCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC4=NC=CN=C4)F)C5=NN=C(C=C5)C#N
InChI
InChI=1S/C23H22FN9O2/c24-19-11-17(33-15-18(35-23(33)34)13-28-21-14-26-5-6-27-21)2-3-20(19)31-7-9-32(10-8-31)22-4-1-16(12-25)29-30-22/h1-6,11,14,18H,7-10,13,15H2,(H,27,28)/t18-/m0/s1
InChIKey
WAYIHMUAGACRMC-SFHVURJKSA-N
Compound name
6-[4-[2-fluoro-4-[(5S)-2-oxo-5-[(pyrazin-2-ylamino)methyl]-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

475.18805 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.19533 202.3
[M+Na]+ 498.17727 208.6
[M-H]- 474.18077 202.6
[M+NH4]+ 493.22187 197.9
[M+K]+ 514.15121 199.2
[M+H-H2O]+ 458.18531 178.3
[M+HCOO]- 520.18625 206.8
[M+CH3COO]- 534.20190 204.6
[M+Na-2H]- 496.16272 199.8
[M]+ 475.18750 191.0
[M]- 475.18860 191.0
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.