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 154.8
[M+Na]+ 275.07909 162.7
[M-H]- 251.08259 161.8
[M+NH4]+ 270.12369 169.5
[M+K]+ 291.05303 159.2
[M+H-H2O]+ 235.08713 146.0
[M+HCOO]- 297.08807 175.7
[M+CH3COO]- 311.10372 166.9
[M+Na-2H]- 273.06454 163.0
[M]+ 252.08932 153.4
[M]- 252.09042 153.4
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.