CID 135964531

(2e,5z)-5-(5-bromo-2-oxo-indolin-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]thiazolidin-4-one

Structural Information

Molecular Formula
C19H10BrN5O3S
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)Br)O
InChI
InChI=1S/C19H10BrN5O3S/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
BCPOMDNJONNWPH-UHFFFAOYSA-N
Compound name
5-bromo-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

466.96878 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.97606 187.0
[M+Na]+ 489.95800 204.0
[M-H]- 465.96150 201.9
[M+NH4]+ 485.00260 199.9
[M+K]+ 505.93194 193.0
[M+H-H2O]+ 449.96604 187.6
[M+HCOO]- 511.96698 205.5
[M+CH3COO]- 525.98263 201.3
[M+Na-2H]- 487.94345 188.9
[M]+ 466.96823 213.6
[M]- 466.96933 213.6
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.