CID 24209048

853334-58-4

Structural Information

Molecular Formula
C15H11N3O3
SMILES
CC1=CC=CN2C1=NC=C2C(=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H11N3O3/c1-10-4-3-7-17-13(9-16-15(10)17)14(19)11-5-2-6-12(8-11)18(20)21/h2-9H,1H3
InChIKey
GZMJYDFIMZSYKW-UHFFFAOYSA-N
Compound name
(8-methylimidazo[1,2-a]pyridin-3-yl)-(3-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08005 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08733 161.0
[M+Na]+ 304.06927 169.9
[M-H]- 280.07277 167.2
[M+NH4]+ 299.11387 175.9
[M+K]+ 320.04321 161.6
[M+H-H2O]+ 264.07731 156.7
[M+HCOO]- 326.07825 184.6
[M+CH3COO]- 340.09390 194.5
[M+Na-2H]- 302.05472 168.3
[M]+ 281.07950 162.1
[M]- 281.08060 162.1
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.