CID 135585543

Nsc732382

Structural Information

Molecular Formula
C19H10FN5O3S
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)F)O
InChI
InChI=1S/C19H10FN5O3S/c20-10-6-7-12-11(8-10)13(15(26)21-12)14-16(27)22-19(29-14)23-18-25-24-17(28-18)9-4-2-1-3-5-9/h1-8,27H,(H,22,23,25)
InChIKey
JQUWPIFUAOJXKW-UHFFFAOYSA-N
Compound name
5-fluoro-3-[4-hydroxy-2-[(5-phenyl-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

407.04883 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.05611 187.4
[M+Na]+ 430.03805 202.4
[M-H]- 406.04155 198.9
[M+NH4]+ 425.08265 198.3
[M+K]+ 446.01199 196.6
[M+H-H2O]+ 390.04609 179.7
[M+HCOO]- 452.04703 206.6
[M+CH3COO]- 466.06268 199.6
[M+Na-2H]- 428.02350 186.7
[M]+ 407.04828 195.6
[M]- 407.04938 195.6
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.