CID 54717466

Schembl13917454

Structural Information

Molecular Formula
C16H18N4O4
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=CC=N3)C
InChI
InChI=1S/C16H18N4O4/c1-16(2)15-19-11(12(21)14(23)20(15)7-8-24-16)13(22)18-9-10-5-3-4-6-17-10/h3-6,21H,7-9H2,1-2H3,(H,18,22)
InChIKey
NTVZFPPZMYYKSX-UHFFFAOYSA-N
Compound name
3-hydroxy-9,9-dimethyl-4-oxo-N-(pyridin-2-ylmethyl)-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

330.1328 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14008 177.1
[M+Na]+ 353.12202 185.6
[M-H]- 329.12552 180.4
[M+NH4]+ 348.16662 187.5
[M+K]+ 369.09596 182.6
[M+H-H2O]+ 313.13006 167.1
[M+HCOO]- 375.13100 192.3
[M+CH3COO]- 389.14665 209.1
[M+Na-2H]- 351.10747 183.2
[M]+ 330.13225 178.0
[M]- 330.13335 178.0
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