CID 54717498

Schembl13917520

Structural Information

Molecular Formula
C24H24N4O5
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=CC=C3C4=CC=C(C=C4)C(=O)N)C
InChI
InChI=1S/C24H24N4O5/c1-24(2)23-27-18(19(29)22(32)28(23)11-12-33-24)21(31)26-13-16-5-3-4-6-17(16)14-7-9-15(10-8-14)20(25)30/h3-10,29H,11-13H2,1-2H3,(H2,25,30)(H,26,31)
InChIKey
IXJWBWORFSWXMQ-UHFFFAOYSA-N
Compound name
N-[[2-(4-carbamoylphenyl)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

9
Patents

448.17468 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.18196 209.2
[M+Na]+ 471.16390 215.7
[M-H]- 447.16740 216.3
[M+NH4]+ 466.20850 214.9
[M+K]+ 487.13784 212.2
[M+H-H2O]+ 431.17194 197.7
[M+HCOO]- 493.17288 223.6
[M+CH3COO]- 507.18853 236.8
[M+Na-2H]- 469.14935 210.9
[M]+ 448.17413 209.0
[M]- 448.17523 209.0
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

No patent data available for this compound.