CID 49676

86073-51-0

Structural Information

Molecular Formula
C22H25NO3
SMILES
CCN(CC)CC1=C(C=CC2=C1OC(=C(C2=O)C)C3=CC=CC=C3)OC
InChI
InChI=1S/C22H25NO3/c1-5-23(6-2)14-18-19(25-4)13-12-17-20(24)15(3)21(26-22(17)18)16-10-8-7-9-11-16/h7-13H,5-6,14H2,1-4H3
InChIKey
CEACCJICDCYLEK-UHFFFAOYSA-N
Compound name
8-(diethylaminomethyl)-7-methoxy-3-methyl-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

351.18344 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.190716 186.6
[M+Na]+ 374.172658 195.0
[M-H]- 350.176164 196.5
[M+NH4]+ 369.217263 200.2
[M+K]+ 390.146598 192.5
[M+H-H2O]+ 334.180700 177.1
[M+HCOO]- 396.181641 209.1
[M+CH3COO]- 410.197291 223.3
[M+Na-2H]- 372.158106 190.0
[M]+ 351.18289142 193.7
[M]- 351.18398858 193.7
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.