CID 54717535

Schembl13917571

Structural Information

Molecular Formula
C17H19N3O4
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=CC=C3)C
InChI
InChI=1S/C17H19N3O4/c1-17(2)16-19-12(13(21)15(23)20(16)8-9-24-17)14(22)18-10-11-6-4-3-5-7-11/h3-7,21H,8-10H2,1-2H3,(H,18,22)
InChIKey
MVMSCLDXZWHJBU-UHFFFAOYSA-N
Compound name
N-benzyl-3-hydroxy-9,9-dimethyl-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

9
Patents

329.13754 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14482 176.6
[M+Na]+ 352.12676 184.7
[M-H]- 328.13026 181.1
[M+NH4]+ 347.17136 188.5
[M+K]+ 368.10070 181.7
[M+H-H2O]+ 312.13480 167.2
[M+HCOO]- 374.13574 192.8
[M+CH3COO]- 388.15139 209.2
[M+Na-2H]- 350.11221 182.2
[M]+ 329.13699 177.3
[M]- 329.13809 177.3
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

No patent data available for this compound.