CID 54717530

Schembl13917567

Structural Information

Molecular Formula
C18H20FN3O5
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)N(CC3=CC=C(C=C3)F)OC)C
InChI
InChI=1S/C18H20FN3O5/c1-18(2)17-20-13(14(23)16(25)21(17)8-9-27-18)15(24)22(26-3)10-11-4-6-12(19)7-5-11/h4-7,23H,8-10H2,1-3H3
InChIKey
NNVMTZGLKUHQIH-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-3-hydroxy-N-methoxy-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

11
Patents

377.1387 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14598 186.2
[M+Na]+ 400.12792 194.7
[M-H]- 376.13142 191.0
[M+NH4]+ 395.17252 196.8
[M+K]+ 416.10186 193.3
[M+H-H2O]+ 360.13596 175.7
[M+HCOO]- 422.13690 201.6
[M+CH3COO]- 436.15255 221.6
[M+Na-2H]- 398.11337 189.6
[M]+ 377.13815 189.3
[M]- 377.13925 189.3
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