CID 54692329

Schembl2899829

Structural Information

Molecular Formula
C16H18N4O4
SMILES
CC(C)N1C(=O)C(=C2C(=O)N(CCN2C1=O)CC3=CC=CC=N3)O
InChI
InChI=1S/C16H18N4O4/c1-10(2)20-15(23)13(21)12-14(22)18(7-8-19(12)16(20)24)9-11-5-3-4-6-17-11/h3-6,10,21H,7-9H2,1-2H3
InChIKey
BWIUFYHZFUVPAX-UHFFFAOYSA-N
Compound name
9-hydroxy-7-propan-2-yl-2-(pyridin-2-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

330.1328 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14008 178.2
[M+Na]+ 353.12202 188.2
[M-H]- 329.12552 179.8
[M+NH4]+ 348.16662 187.1
[M+K]+ 369.09596 182.9
[M+H-H2O]+ 313.13006 167.8
[M+HCOO]- 375.13100 191.7
[M+CH3COO]- 389.14665 209.7
[M+Na-2H]- 351.10747 180.3
[M]+ 330.13225 179.2
[M]- 330.13335 179.2
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