CID 3686012

5-acetyl-2-amino-4-(3-methoxyphenyl)-6-methyl-4h-pyran-3-carbonitrile

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)OC)C(=O)C
InChI
InChI=1S/C16H16N2O3/c1-9(19)14-10(2)21-16(18)13(8-17)15(14)11-5-4-6-12(7-11)20-3/h4-7,15H,18H2,1-3H3
InChIKey
NYIWEBXGMYQPJT-UHFFFAOYSA-N
Compound name
5-acetyl-2-amino-4-(3-methoxyphenyl)-6-methyl-4H-pyran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1161 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 166.5
[M+Na]+ 307.10532 178.9
[M+NH4]+ 302.14992 170.0
[M+K]+ 323.07926 170.2
[M-H]- 283.10882 163.9
[M+Na-2H]- 305.09077 169.5
[M]+ 284.11555 166.7
[M]- 284.11665 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.