CID 455441

Bhap coumarinyl pyridyl deriv.

Structural Information

Molecular Formula
C21H22N4O3
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O
InChI
InChI=1S/C21H22N4O3/c1-2-22-17-7-5-9-23-19(17)24-10-12-25(13-11-24)20(26)16-14-15-6-3-4-8-18(15)28-21(16)27/h3-9,14,22H,2,10-13H2,1H3
InChIKey
PAWLLBZUYYALQK-UHFFFAOYSA-N
Compound name
3-[4-[3-(ethylamino)pyridin-2-yl]piperazine-1-carbonyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.1692 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17648 192.2
[M+Na]+ 401.15842 198.1
[M-H]- 377.16192 198.6
[M+NH4]+ 396.20302 198.4
[M+K]+ 417.13236 193.2
[M+H-H2O]+ 361.16646 179.5
[M+HCOO]- 423.16740 206.5
[M+CH3COO]- 437.18305 200.1
[M+Na-2H]- 399.14387 196.0
[M]+ 378.16865 190.3
[M]- 378.16975 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.