CID 54717579

Schembl5013180

Structural Information

Molecular Formula
C20H25N3O5
SMILES
CC(C)OC1=CC=CC(=C1)CNC(=O)C2=C(C(=O)N3CCOC(C3=N2)(C)C)O
InChI
InChI=1S/C20H25N3O5/c1-12(2)28-14-7-5-6-13(10-14)11-21-17(25)15-16(24)18(26)23-8-9-27-20(3,4)19(23)22-15/h5-7,10,12,24H,8-9,11H2,1-4H3,(H,21,25)
InChIKey
UWBVUZVBBWDSER-UHFFFAOYSA-N
Compound name
3-hydroxy-9,9-dimethyl-4-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-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

387.1794 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.18668 192.4
[M+Na]+ 410.16862 199.4
[M-H]- 386.17212 196.7
[M+NH4]+ 405.21322 201.9
[M+K]+ 426.14256 197.4
[M+H-H2O]+ 370.17666 182.8
[M+HCOO]- 432.17760 206.6
[M+CH3COO]- 446.19325 222.7
[M+Na-2H]- 408.15407 194.9
[M]+ 387.17885 195.4
[M]- 387.17995 195.4
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