CID 58298318

Cc-115

Structural Information

Molecular Formula
C16H16N8O
SMILES
CCN1C(=O)CNC2=NC=C(N=C21)C3=C(N=C(C=C3)C4=NC=NN4)C
InChI
InChI=1S/C16H16N8O/c1-3-24-13(25)7-18-15-16(24)22-12(6-17-15)10-4-5-11(21-9(10)2)14-19-8-20-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,18)(H,19,20,23)
InChIKey
GMYLVKUGJMYTFB-UHFFFAOYSA-N
Compound name
5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)pyridin-3-yl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

1029
Patents

336.1447 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15198 187.7
[M+Na]+ 359.13392 198.0
[M-H]- 335.13742 186.3
[M+NH4]+ 354.17852 191.6
[M+K]+ 375.10786 188.3
[M+H-H2O]+ 319.14196 175.0
[M+HCOO]- 381.14290 196.4
[M+CH3COO]- 395.15855 194.3
[M+Na-2H]- 357.11937 189.3
[M]+ 336.14415 184.5
[M]- 336.14525 184.5
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

patents stripe