CID 54717364

Schembl13917328

Structural Information

Molecular Formula
C17H18FN3O4
SMILES
CC1C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC(=C(C=C3)F)C
InChI
InChI=1S/C17H18FN3O4/c1-9-7-11(3-4-12(9)18)8-19-16(23)13-14(22)17(24)21-5-6-25-10(2)15(21)20-13/h3-4,7,10,22H,5-6,8H2,1-2H3,(H,19,23)
InChIKey
QMQGYSUKTIISBS-UHFFFAOYSA-N
Compound name
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

347.12814 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13542 181.8
[M+Na]+ 370.11736 190.7
[M-H]- 346.12086 185.3
[M+NH4]+ 365.16196 191.3
[M+K]+ 386.09130 186.9
[M+H-H2O]+ 330.12540 171.3
[M+HCOO]- 392.12634 196.7
[M+CH3COO]- 406.14199 215.1
[M+Na-2H]- 368.10281 183.9
[M]+ 347.12759 181.9
[M]- 347.12869 181.9
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

patents stripe