CID 16075459

3-imidazo[1,2-a]pyridin-2-yl-8-nitro-chromen-2-one

Structural Information

Molecular Formula
C16H9N3O4
SMILES
C1=CC2=NC(=CN2C=C1)C3=CC4=C(C(=CC=C4)[N+](=O)[O-])OC3=O
InChI
InChI=1S/C16H9N3O4/c20-16-11(12-9-18-7-2-1-6-14(18)17-12)8-10-4-3-5-13(19(21)22)15(10)23-16/h1-9H
InChIKey
QORFUHFXJSSRKC-UHFFFAOYSA-N
Compound name
3-imidazo[1,2-a]pyridin-2-yl-8-nitrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0593 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06658 165.1
[M+Na]+ 330.04852 175.6
[M-H]- 306.05202 173.2
[M+NH4]+ 325.09312 178.5
[M+K]+ 346.02246 167.6
[M+H-H2O]+ 290.05656 160.2
[M+HCOO]- 352.05750 187.9
[M+CH3COO]- 366.07315 198.5
[M+Na-2H]- 328.03397 175.6
[M]+ 307.05875 168.1
[M]- 307.05985 168.1
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.