CID 60674

Bimakalim

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CC1(C=C(C2=C(O1)C=CC(=C2)C#N)N3C=CC=CC3=O)C
InChI
InChI=1S/C17H14N2O2/c1-17(2)10-14(19-8-4-3-5-16(19)20)13-9-12(11-18)6-7-15(13)21-17/h3-10H,1-2H3
InChIKey
JTVSKASWNROQQF-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-(2-oxopyridin-1-yl)chromene-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

75
References

805
Patents

278.10553 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 164.2
[M+Na]+ 301.09475 180.1
[M+NH4]+ 296.13935 170.5
[M+K]+ 317.06869 167.4
[M-H]- 277.09825 162.5
[M+Na-2H]- 299.08020 170.8
[M]+ 278.10498 165.6
[M]- 278.10608 165.6
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