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 168.3
[M+Na]+ 307.10532 178.7
[M-H]- 283.10882 174.4
[M+NH4]+ 302.14992 181.1
[M+K]+ 323.07926 175.5
[M+H-H2O]+ 267.11336 154.3
[M+HCOO]- 329.11430 186.2
[M+CH3COO]- 343.12995 216.0
[M+Na-2H]- 305.09077 169.2
[M]+ 284.11555 164.9
[M]- 284.11665 164.9
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.