CID 3063427

Pyrido(3,4-b)pyrazin-2(1h)-one, 1-(2-(dimethylamino)ethyl)-3-methyl-

Structural Information

Molecular Formula
C12H16N4O
SMILES
CC1=NC2=C(C=CN=C2)N(C1=O)CCN(C)C
InChI
InChI=1S/C12H16N4O/c1-9-12(17)16(7-6-15(2)3)11-4-5-13-8-10(11)14-9/h4-5,8H,6-7H2,1-3H3
InChIKey
FRVOKQAUZQYODR-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-3-methylpyrido[3,4-b]pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

232.13242 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.139696 152.9
[M+Na]+ 255.121638 162.9
[M-H]- 231.125144 155.3
[M+NH4]+ 250.166243 168.8
[M+K]+ 271.095578 160.0
[M+H-H2O]+ 215.129680 143.9
[M+HCOO]- 277.130621 174.2
[M+CH3COO]- 291.146271 199.0
[M+Na-2H]- 253.107086 160.4
[M]+ 232.13187142 156.6
[M]- 232.13296858 156.6
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

patents stripe