CID 16075463

3-(5-aminoimidazo[1,2-a]pyridin-2-yl)-8-nitro-chromen-2-one

Structural Information

Molecular Formula
C16H10N4O4
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])OC(=O)C(=C2)C3=CN4C(=N3)C=CC=C4N
InChI
InChI=1S/C16H10N4O4/c17-13-5-2-6-14-18-11(8-19(13)14)10-7-9-3-1-4-12(20(22)23)15(9)24-16(10)21/h1-8H,17H2
InChIKey
OVXHCWBRECSCDC-UHFFFAOYSA-N
Compound name
3-(5-aminoimidazo[1,2-a]pyridin-2-yl)-8-nitrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0702 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07748 168.7
[M+Na]+ 345.05942 179.0
[M-H]- 321.06292 176.6
[M+NH4]+ 340.10402 181.1
[M+K]+ 361.03336 170.7
[M+H-H2O]+ 305.06746 163.8
[M+HCOO]- 367.06840 191.9
[M+CH3COO]- 381.08405 204.0
[M+Na-2H]- 343.04487 178.5
[M]+ 322.06965 170.6
[M]- 322.07075 170.6
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.