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]+ 334.18016 181.2
[M+Na]+ 356.16210 187.8
[M-H]- 332.16560 190.3
[M+NH4]+ 351.20670 192.7
[M+K]+ 372.13604 182.8
[M+H-H2O]+ 316.17014 170.3
[M+HCOO]- 378.17108 197.6
[M+CH3COO]- 392.18673 191.1
[M+Na-2H]- 354.14755 184.7
[M]+ 333.17233 179.2
[M]- 333.17343 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.