CID 54717467

Schembl13917455

Structural Information

Molecular Formula
C16H19N5O4
SMILES
CC1=CN=C(C=N1)CNC(=O)C2=C(C(=O)N3CCOC(C3=N2)(C)C)O
InChI
InChI=1S/C16H19N5O4/c1-9-6-18-10(7-17-9)8-19-13(23)11-12(22)14(24)21-4-5-25-16(2,3)15(21)20-11/h6-7,22H,4-5,8H2,1-3H3,(H,19,23)
InChIKey
UHYBAUNQLJGDHZ-UHFFFAOYSA-N
Compound name
3-hydroxy-9,9-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

345.1437 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15098 182.9
[M+Na]+ 368.13292 192.3
[M-H]- 344.13642 185.3
[M+NH4]+ 363.17752 191.6
[M+K]+ 384.10686 189.0
[M+H-H2O]+ 328.14096 172.4
[M+HCOO]- 390.14190 196.6
[M+CH3COO]- 404.15755 213.4
[M+Na-2H]- 366.11837 188.1
[M]+ 345.14315 184.7
[M]- 345.14425 184.7
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