CID 135520371

Nsc733413

Structural Information

Molecular Formula
C19H9BrClN5O3S
SMILES
C1=CC(=CC=C1C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)Br)O)Cl
InChI
InChI=1S/C19H9BrClN5O3S/c20-9-3-6-12-11(7-9)13(15(27)22-12)14-16(28)23-19(30-14)24-18-26-25-17(29-18)8-1-4-10(21)5-2-8/h1-7,28H,(H,23,24,26)
InChIKey
KSUKUPYGNHABOQ-UHFFFAOYSA-N
Compound name
5-bromo-3-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

500.9298 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.93708 194.3
[M+Na]+ 523.91902 212.6
[M-H]- 499.92252 209.2
[M+NH4]+ 518.96362 207.0
[M+K]+ 539.89296 200.6
[M+H-H2O]+ 483.92706 194.9
[M+HCOO]- 545.92800 208.2
[M+CH3COO]- 559.94365 208.3
[M+Na-2H]- 521.90447 195.0
[M]+ 500.92925 223.1
[M]- 500.93035 223.1
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.