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-oxo-1-pyridinyl)chromene-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

75
References

932
Patents

278.10553 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.112806 165.4
[M+Na]+ 301.094748 178.7
[M-H]- 277.098254 171.3
[M+NH4]+ 296.139353 180.3
[M+K]+ 317.068688 171.9
[M+H-H2O]+ 261.102790 150.6
[M+HCOO]- 323.103731 182.0
[M+CH3COO]- 337.119381 176.5
[M+Na-2H]- 299.080196 171.7
[M]+ 278.10498142 162.3
[M]- 278.10607858 162.3
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