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]+ 308.066576 165.1
[M+Na]+ 330.048518 175.6
[M-H]- 306.052024 173.2
[M+NH4]+ 325.093123 178.5
[M+K]+ 346.022458 167.6
[M+H-H2O]+ 290.056560 160.2
[M+HCOO]- 352.057501 187.9
[M+CH3COO]- 366.073151 198.5
[M+Na-2H]- 328.033966 175.6
[M]+ 307.05875142 168.1
[M]- 307.05984858 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.