CID 16075462

3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-8-nitro-chromen-2-one

Structural Information

Molecular Formula
C16H8BrN3O4
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])OC(=O)C(=C2)C3=CN4C=CC(=CC4=N3)Br
InChI
InChI=1S/C16H8BrN3O4/c17-10-4-5-19-8-12(18-14(19)7-10)11-6-9-2-1-3-13(20(22)23)15(9)24-16(11)21/h1-8H
InChIKey
SOIFRAGOOGYAEW-UHFFFAOYSA-N
Compound name
3-(7-bromoimidazo[1,2-a]pyridin-2-yl)-8-nitrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.96982 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.97710 179.1
[M+Na]+ 407.95904 192.2
[M-H]- 383.96254 189.5
[M+NH4]+ 403.00364 193.5
[M+K]+ 423.93298 177.8
[M+H-H2O]+ 367.96708 180.7
[M+HCOO]- 429.96802 199.4
[M+CH3COO]- 443.98367 208.3
[M+Na-2H]- 405.94449 189.0
[M]+ 384.96927 201.3
[M]- 384.97037 201.3
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.