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]+ 255.112806 162.1
[M+Na]+ 277.094748 172.4
[M-H]- 253.098254 168.1
[M+NH4]+ 272.139353 175.9
[M+K]+ 293.068688 168.6
[M+H-H2O]+ 237.102790 148.3
[M+HCOO]- 299.103731 180.2
[M+CH3COO]- 313.119381 210.1
[M+Na-2H]- 275.080196 164.0
[M]+ 254.10498142 156.8
[M]- 254.10607858 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.