CID 3071768

4h-1-benzopyran-4-one, 7-methoxy-3-methyl-2-(phenylmethyl)-8-(1-piperidinylmethyl)-, hydrochloride

Structural Information

Molecular Formula
C24H27NO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCCC3)OC)CC4=CC=CC=C4
InChI
InChI=1S/C24H27NO3/c1-17-22(15-18-9-5-3-6-10-18)28-24-19(23(17)26)11-12-21(27-2)20(24)16-25-13-7-4-8-14-25/h3,5-6,9-12H,4,7-8,13-16H2,1-2H3
InChIKey
IHEWREBSBWCPKU-UHFFFAOYSA-N
Compound name
2-benzyl-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1991 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20638 194.0
[M+Na]+ 400.18832 200.4
[M-H]- 376.19182 203.0
[M+NH4]+ 395.23292 203.8
[M+K]+ 416.16226 195.7
[M+H-H2O]+ 360.19636 182.5
[M+HCOO]- 422.19730 209.8
[M+CH3COO]- 436.21295 203.1
[M+Na-2H]- 398.17377 195.7
[M]+ 377.19855 194.4
[M]- 377.19965 194.4
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.