CID 54717507

Schembl13917535

Structural Information

Molecular Formula
C24H23N3O6
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=CC=C3C4=CC5=C(C=C4)OCO5)C
InChI
InChI=1S/C24H23N3O6/c1-24(2)23-26-19(20(28)22(30)27(23)9-10-33-24)21(29)25-12-15-5-3-4-6-16(15)14-7-8-17-18(11-14)32-13-31-17/h3-8,11,28H,9-10,12-13H2,1-2H3,(H,25,29)
InChIKey
ZRWNEWXLWGBFGU-UHFFFAOYSA-N
Compound name
N-[[2-(1,3-benzodioxol-5-yl)phenyl]methyl]-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

8
Patents

449.1587 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.16598 207.4
[M+Na]+ 472.14792 215.3
[M-H]- 448.15142 217.4
[M+NH4]+ 467.19252 213.8
[M+K]+ 488.12186 214.0
[M+H-H2O]+ 432.15596 197.0
[M+HCOO]- 494.15690 219.5
[M+CH3COO]- 508.17255 215.8
[M+Na-2H]- 470.13337 209.8
[M]+ 449.15815 210.8
[M]- 449.15925 210.8
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

No patent data available for this compound.