CID 27710

Rec 7-0068

Structural Information

Molecular Formula
C22H23NO2
SMILES
CC1=C(OC2=C(C1=O)C=C(C=C2)CN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H23NO2/c1-16-21(24)19-14-17(15-23-12-6-3-7-13-23)10-11-20(19)25-22(16)18-8-4-2-5-9-18/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3
InChIKey
VWYDVDUXRXOAFO-UHFFFAOYSA-N
Compound name
3-methyl-2-phenyl-6-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.17288 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.180156 181.2
[M+Na]+ 356.162098 187.8
[M-H]- 332.165604 190.3
[M+NH4]+ 351.206703 192.7
[M+K]+ 372.136038 182.8
[M+H-H2O]+ 316.170140 170.3
[M+HCOO]- 378.171081 197.6
[M+CH3COO]- 392.186731 191.1
[M+Na-2H]- 354.147546 184.7
[M]+ 333.17233142 179.2
[M]- 333.17342858 179.2
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.