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]+ 358.17613 185.5
[M+Na]+ 380.15807 192.6
[M-H]- 356.16157 189.6
[M+NH4]+ 375.20267 196.1
[M+K]+ 396.13201 189.3
[M+H-H2O]+ 340.16611 175.7
[M+HCOO]- 402.16705 200.9
[M+CH3COO]- 416.18270 215.1
[M+Na-2H]- 378.14352 190.0
[M]+ 357.16830 186.8
[M]- 357.16940 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