CID 3088402

Brn 5352648

Structural Information

Molecular Formula
C18H20N4O
SMILES
CN(C)CCN1C2=C(C=CC=N2)N=C(C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C18H20N4O/c1-21(2)11-12-22-17-15(9-6-10-19-17)20-16(18(22)23)13-14-7-4-3-5-8-14/h3-10H,11-13H2,1-2H3
InChIKey
GZVFMAOGKWPLEM-UHFFFAOYSA-N
Compound name
2-benzyl-4-[2-(dimethylamino)ethyl]pyrido[2,3-b]pyrazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

308.1637 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.170976 174.6
[M+Na]+ 331.152918 183.0
[M-H]- 307.156424 179.4
[M+NH4]+ 326.197523 186.5
[M+K]+ 347.126858 177.8
[M+H-H2O]+ 291.160960 163.3
[M+HCOO]- 353.161901 195.0
[M+CH3COO]- 367.177551 185.2
[M+Na-2H]- 329.138366 181.3
[M]+ 308.16315142 177.5
[M]- 308.16424858 177.5
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

patents stripe