CID 22203

Brn 0816546

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CN(C)CCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=CC=NC=C3
InChI
InChI=1S/C19H20N2O3/c1-21(2)11-4-12-23-17-6-3-5-15-13-16(19(22)24-18(15)17)14-7-9-20-10-8-14/h3,5-10,13H,4,11-12H2,1-2H3
InChIKey
OQMWRXMKONOZIA-UHFFFAOYSA-N
Compound name
8-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 176.9
[M+Na]+ 347.13662 184.8
[M-H]- 323.14012 185.1
[M+NH4]+ 342.18122 189.6
[M+K]+ 363.11056 182.4
[M+H-H2O]+ 307.14466 166.7
[M+HCOO]- 369.14560 199.2
[M+CH3COO]- 383.16125 214.6
[M+Na-2H]- 345.12207 183.5
[M]+ 324.14685 182.6
[M]- 324.14795 182.6
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.