CID 489609

5-[(3,5-dimethylphenyl)methyl]-7-oxo-2,3,4,8-tetrahydropyrano[2,3-b]pyridine-6-carbonitrile

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC1=CC(=CC(=C1)CC2=C(C(=O)NC3=C2CCCO3)C#N)C
InChI
InChI=1S/C18H18N2O2/c1-11-6-12(2)8-13(7-11)9-15-14-4-3-5-22-18(14)20-17(21)16(15)10-19/h6-8H,3-5,9H2,1-2H3,(H,20,21)
InChIKey
VGIDFWJEGBSZAR-UHFFFAOYSA-N
Compound name
5-[(3,5-dimethylphenyl)methyl]-7-oxo-2,3,4,8-tetrahydropyrano[2,3-b]pyridine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 170.5
[M+Na]+ 317.12606 181.6
[M-H]- 293.12956 174.5
[M+NH4]+ 312.17066 182.4
[M+K]+ 333.10000 174.5
[M+H-H2O]+ 277.13410 155.8
[M+HCOO]- 339.13504 184.0
[M+CH3COO]- 353.15069 179.9
[M+Na-2H]- 315.11151 173.4
[M]+ 294.13629 164.8
[M]- 294.13739 164.8
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.