CID 49501

67195-87-3

Structural Information

Molecular Formula
C19H25NO3
SMILES
CCC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCCC3)OC)C
InChI
InChI=1S/C19H25NO3/c1-4-14-13(2)23-19-15(18(14)21)8-9-17(22-3)16(19)12-20-10-6-5-7-11-20/h8-9H,4-7,10-12H2,1-3H3
InChIKey
FHJVANOYNDBNSW-UHFFFAOYSA-N
Compound name
3-ethyl-7-methoxy-2-methyl-8-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 176.1
[M+Na]+ 338.17266 183.6
[M-H]- 314.17616 182.6
[M+NH4]+ 333.21726 189.4
[M+K]+ 354.14660 180.5
[M+H-H2O]+ 298.18070 166.9
[M+HCOO]- 360.18164 192.6
[M+CH3COO]- 374.19729 209.8
[M+Na-2H]- 336.15811 178.6
[M]+ 315.18289 177.9
[M]- 315.18399 177.9
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.