CID 97013801

3-({6-bromoimidazo[1,2-a]pyridin-3-yl}methylidene)-6-chloro-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula
C16H9BrClN3O
SMILES
C1=CC\2=C(C=C1Cl)NC(=O)/C2=C/C3=CN=C4N3C=C(C=C4)Br
InChI
InChI=1S/C16H9BrClN3O/c17-9-1-4-15-19-7-11(21(15)8-9)6-13-12-3-2-10(18)5-14(12)20-16(13)22/h1-8H,(H,20,22)/b13-6+
InChIKey
WGSCOPHZHACGDP-AWNIVKPZSA-N
Compound name
(3E)-3-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylidene]-6-chloro-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.96176 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.96904 178.4
[M+Na]+ 395.95098 194.7
[M-H]- 371.95448 185.8
[M+NH4]+ 390.99558 196.9
[M+K]+ 411.92492 179.4
[M+H-H2O]+ 355.95902 177.7
[M+HCOO]- 417.95996 191.8
[M+CH3COO]- 431.97561 191.8
[M+Na-2H]- 393.93643 181.4
[M]+ 372.96121 199.4
[M]- 372.96231 199.4
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.