CID 2769623

5-acetyl-2-amino-6-methyl-4-phenyl-4h-pyran-3-carbonitrile

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2)C(=O)C
InChI
InChI=1S/C15H14N2O2/c1-9(18)13-10(2)19-15(17)12(8-16)14(13)11-6-4-3-5-7-11/h3-7,14H,17H2,1-2H3
InChIKey
JAMQLJVXPNHYPI-UHFFFAOYSA-N
Compound name
5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

254.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 160.7
[M+Na]+ 277.09475 173.5
[M+NH4]+ 272.13935 164.9
[M+K]+ 293.06869 164.2
[M-H]- 253.09825 158.6
[M+Na-2H]- 275.08020 164.5
[M]+ 254.10498 161.1
[M]- 254.10608 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.