CID 3071764

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

Structural Information

Molecular Formula
C23H27NO3
SMILES
CCN(CC)CC1=C(C=CC2=C1OC(=C(C2=O)C)CC3=CC=CC=C3)OC
InChI
InChI=1S/C23H27NO3/c1-5-24(6-2)15-19-20(26-4)13-12-18-22(25)16(3)21(27-23(18)19)14-17-10-8-7-9-11-17/h7-13H,5-6,14-15H2,1-4H3
InChIKey
XDXPTRPZHRGIIO-UHFFFAOYSA-N
Compound name
2-benzyl-8-(diethylaminomethyl)-7-methoxy-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20638 191.4
[M+Na]+ 388.18832 199.3
[M-H]- 364.19182 201.1
[M+NH4]+ 383.23292 204.3
[M+K]+ 404.16226 196.5
[M+H-H2O]+ 348.19636 181.7
[M+HCOO]- 410.19730 213.5
[M+CH3COO]- 424.21295 226.3
[M+Na-2H]- 386.17377 194.2
[M]+ 365.19855 198.7
[M]- 365.19965 198.7
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.