CID 58298316

Cc-223

Structural Information

Molecular Formula
C21H27N5O3
SMILES
CC(C)(C1=NC=C(C=C1)C2=CN=C3C(=N2)N(C(=O)CN3)C4CCC(CC4)OC)O
InChI
InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)
InChIKey
UFKLYTOEMRFKAD-UHFFFAOYSA-N
Compound name
3-[6-(2-hydroxypropan-2-yl)pyridin-3-yl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

681
Patents

397.2114 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.21868 203.8
[M+Na]+ 420.20062 208.6
[M-H]- 396.20412 204.0
[M+NH4]+ 415.24522 206.8
[M+K]+ 436.17456 201.6
[M+H-H2O]+ 380.20866 191.2
[M+HCOO]- 442.20960 208.4
[M+CH3COO]- 456.22525 208.5
[M+Na-2H]- 418.18607 204.9
[M]+ 397.21085 197.8
[M]- 397.21195 197.8
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