CID 54717489

Schembl13917497

Structural Information

Molecular Formula
C24H25N3O5
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=CC=C3C4=CC(=CC=C4)OC)C
InChI
InChI=1S/C24H25N3O5/c1-24(2)23-26-19(20(28)22(30)27(23)11-12-32-24)21(29)25-14-16-7-4-5-10-18(16)15-8-6-9-17(13-15)31-3/h4-10,13,28H,11-12,14H2,1-3H3,(H,25,29)
InChIKey
JSFICXRBKDEGMZ-UHFFFAOYSA-N
Compound name
3-hydroxy-N-[[2-(3-methoxyphenyl)phenyl]methyl]-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

435.1794 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.18668 206.5
[M+Na]+ 458.16862 213.9
[M-H]- 434.17212 214.0
[M+NH4]+ 453.21322 213.5
[M+K]+ 474.14256 210.3
[M+H-H2O]+ 418.17666 194.6
[M+HCOO]- 480.17760 221.3
[M+CH3COO]- 494.19325 231.2
[M+Na-2H]- 456.15407 209.3
[M]+ 435.17885 208.9
[M]- 435.17995 208.9
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.