CID 3088400

Brn 5352659

Structural Information

Molecular Formula
C18H20N4O
SMILES
CN(C)CCN1C2=C(C=NC=C2)N=C(C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C18H20N4O/c1-21(2)10-11-22-17-8-9-19-13-16(17)20-15(18(22)23)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3
InChIKey
HCXLKGAKZOEOHD-UHFFFAOYSA-N
Compound name
3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.1637 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17098 174.6
[M+Na]+ 331.15292 183.0
[M-H]- 307.15642 179.4
[M+NH4]+ 326.19752 186.5
[M+K]+ 347.12686 177.8
[M+H-H2O]+ 291.16096 163.3
[M+HCOO]- 353.16190 195.0
[M+CH3COO]- 367.17755 185.2
[M+Na-2H]- 329.13837 181.3
[M]+ 308.16315 177.5
[M]- 308.16425 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