CID 54717561

Schembl13917605

Structural Information

Molecular Formula
C18H20FN3O5
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC(=C(C=C3)F)OC)C
InChI
InChI=1S/C18H20FN3O5/c1-18(2)17-21-13(14(23)16(25)22(17)6-7-27-18)15(24)20-9-10-4-5-11(19)12(8-10)26-3/h4-5,8,23H,6-7,9H2,1-3H3,(H,20,24)
InChIKey
HCUYIWKONOINRK-UHFFFAOYSA-N
Compound name
N-[(4-fluoro-3-methoxyphenyl)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

377.1387 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14598 187.4
[M+Na]+ 400.12792 196.6
[M-H]- 376.13142 191.1
[M+NH4]+ 395.17252 197.7
[M+K]+ 416.10186 193.9
[M+H-H2O]+ 360.13596 177.2
[M+HCOO]- 422.13690 202.2
[M+CH3COO]- 436.15255 219.9
[M+Na-2H]- 398.11337 190.6
[M]+ 377.13815 189.7
[M]- 377.13925 189.7
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