CID 54717533

Schembl13917568

Structural Information

Molecular Formula
C19H23N3O4
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCCCC3=CC=CC=C3)C
InChI
InChI=1S/C19H23N3O4/c1-19(2)18-21-14(15(23)17(25)22(18)11-12-26-19)16(24)20-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,23H,6,9-12H2,1-2H3,(H,20,24)
InChIKey
CSWIWPIPBUXDLD-UHFFFAOYSA-N
Compound name
3-hydroxy-9,9-dimethyl-4-oxo-N-(3-phenylpropyl)-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

357.16885 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.176126 185.5
[M+Na]+ 380.158068 192.6
[M-H]- 356.161574 189.6
[M+NH4]+ 375.202673 196.1
[M+K]+ 396.132008 189.3
[M+H-H2O]+ 340.166110 175.7
[M+HCOO]- 402.167051 200.9
[M+CH3COO]- 416.182701 215.1
[M+Na-2H]- 378.143516 190.0
[M]+ 357.16830142 186.8
[M]- 357.16939858 186.8
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