CID 395667

Nsc700449

Structural Information

Molecular Formula
C18H11BrN2OS
SMILES
C1=CC=C(C=C1)C2=CC3=C(N=C2)SN(C3=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C18H11BrN2OS/c19-14-6-8-15(9-7-14)21-18(22)16-10-13(11-20-17(16)23-21)12-4-2-1-3-5-12/h1-11H
InChIKey
MBRXMTXABOLTKO-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-5-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.97754 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.98482 171.8
[M+Na]+ 404.96676 187.7
[M-H]- 380.97026 184.0
[M+NH4]+ 400.01136 188.9
[M+K]+ 420.94070 174.0
[M+H-H2O]+ 364.97480 171.1
[M+HCOO]- 426.97574 189.4
[M+CH3COO]- 440.99139 186.5
[M+Na-2H]- 402.95221 177.2
[M]+ 381.97699 194.9
[M]- 381.97809 194.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.