CID 135425237

Nsc733414

Structural Information

Molecular Formula
C19H9ClFN5O3S
SMILES
C1=CC(=CC=C1C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)F)O)Cl
InChI
InChI=1S/C19H9ClFN5O3S/c20-9-3-1-8(2-4-9)17-25-26-18(29-17)24-19-23-16(28)14(30-19)13-11-7-10(21)5-6-12(11)22-15(13)27/h1-7,28H,(H,23,24,26)
InChIKey
IYBBKUQUHDOKLH-UHFFFAOYSA-N
Compound name
3-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

441.00986 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.01714 196.5
[M+Na]+ 463.99908 212.6
[M-H]- 440.00258 208.0
[M+NH4]+ 459.04368 207.0
[M+K]+ 479.97302 206.0
[M+H-H2O]+ 424.00712 188.8
[M+HCOO]- 486.00806 210.8
[M+CH3COO]- 500.02371 208.3
[M+Na-2H]- 461.98453 194.3
[M]+ 441.00931 207.0
[M]- 441.01041 207.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.