CID 98556

4(1h)-pyridinimine, 1-(2h-1-benzopyran-3-ylcarbonyl)-

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1C(=CC2=CC=CC=C2O1)C(=O)N3C=CC(=N)C=C3
InChI
InChI=1S/C15H12N2O2/c16-13-5-7-17(8-6-13)15(18)12-9-11-3-1-2-4-14(11)19-10-12/h1-9,16H,10H2
InChIKey
GSPKLAZUVYHGOK-UHFFFAOYSA-N
Compound name
2H-chromen-3-yl-(4-iminopyridin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.08987 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 155.3
[M+Na]+ 275.07909 170.6
[M+NH4]+ 270.12369 163.8
[M+K]+ 291.05303 163.2
[M-H]- 251.08259 161.5
[M+Na-2H]- 273.06454 164.1
[M]+ 252.08932 159.3
[M]- 252.09042 159.3
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.