CID 135438537

Nsc733410

Structural Information

Molecular Formula
C20H12FN5O4S
SMILES
COC1=CC=C(C=C1)C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)F)O
InChI
InChI=1S/C20H12FN5O4S/c1-29-11-5-2-9(3-6-11)18-25-26-19(30-18)24-20-23-17(28)15(31-20)14-12-8-10(21)4-7-13(12)22-16(14)27/h2-8,28H,1H3,(H,23,24,26)
InChIKey
NVTJAEHAVUBQQE-UHFFFAOYSA-N
Compound name
5-fluoro-3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.05942 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.06670 195.3
[M+Na]+ 460.04864 210.0
[M-H]- 436.05214 207.0
[M+NH4]+ 455.09324 205.0
[M+K]+ 476.02258 204.8
[M+H-H2O]+ 420.05668 187.6
[M+HCOO]- 482.05762 214.2
[M+CH3COO]- 496.07327 207.0
[M+Na-2H]- 458.03409 193.7
[M]+ 437.05887 205.3
[M]- 437.05997 205.3
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.