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 162.1
[M+Na]+ 277.09475 172.4
[M-H]- 253.09825 168.1
[M+NH4]+ 272.13935 175.9
[M+K]+ 293.06869 168.6
[M+H-H2O]+ 237.10279 148.3
[M+HCOO]- 299.10373 180.2
[M+CH3COO]- 313.11938 210.1
[M+Na-2H]- 275.08020 164.0
[M]+ 254.10498 156.8
[M]- 254.10608 156.8
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

No patent data available for this compound.