CID 55151

2h-1-benzopyran-3-carboxamide, n-3-pyridinyl-

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1C(=CC2=CC=CC=C2O1)C(=O)NC3=CN=CC=C3
InChI
InChI=1S/C15H12N2O2/c18-15(17-13-5-3-7-16-9-13)12-8-11-4-1-2-6-14(11)19-10-12/h1-9H,10H2,(H,17,18)
InChIKey
BAMJDFQQWLTQRZ-UHFFFAOYSA-N
Compound name
N-pyridin-3-yl-2H-chromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.08987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 154.8
[M+Na]+ 275.07909 161.5
[M-H]- 251.08259 161.3
[M+NH4]+ 270.12369 169.2
[M+K]+ 291.05303 158.6
[M+H-H2O]+ 235.08713 145.8
[M+HCOO]- 297.08807 175.6
[M+CH3COO]- 311.10372 166.5
[M+Na-2H]- 273.06454 163.8
[M]+ 252.08932 153.7
[M]- 252.09042 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe