CID 54717366

Schembl13917332

Structural Information

Molecular Formula
C16H15ClFN3O4
SMILES
CC1C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC(=C(C=C3)F)Cl
InChI
InChI=1S/C16H15ClFN3O4/c1-8-14-20-12(13(22)16(24)21(14)4-5-25-8)15(23)19-7-9-2-3-11(18)10(17)6-9/h2-3,6,8,22H,4-5,7H2,1H3,(H,19,23)
InChIKey
KBPHBOAZFJZYID-UHFFFAOYSA-N
Compound name
N-[(3-chloro-4-fluorophenyl)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

8
Patents

367.07352 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.08080 182.2
[M+Na]+ 390.06274 192.2
[M-H]- 366.06624 185.7
[M+NH4]+ 385.10734 191.8
[M+K]+ 406.03668 187.3
[M+H-H2O]+ 350.07078 172.6
[M+HCOO]- 412.07172 193.0
[M+CH3COO]- 426.08737 215.7
[M+Na-2H]- 388.04819 184.5
[M]+ 367.07297 184.3
[M]- 367.07407 184.3
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