CID 54717396

Schembl13917377

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CCC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=C(C=C3)F)CC
InChI
InChI=1S/C19H22FN3O4/c1-3-19(4-2)18-22-14(15(24)17(26)23(18)9-10-27-19)16(25)21-11-12-5-7-13(20)8-6-12/h5-8,24H,3-4,9-11H2,1-2H3,(H,21,25)
InChIKey
KTQMTAFAOJMUFG-UHFFFAOYSA-N
Compound name
9,9-diethyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-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

9
Patents

375.15942 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16670 189.1
[M+Na]+ 398.14864 197.2
[M-H]- 374.15214 192.2
[M+NH4]+ 393.19324 199.2
[M+K]+ 414.12258 193.4
[M+H-H2O]+ 358.15668 178.5
[M+HCOO]- 420.15762 203.4
[M+CH3COO]- 434.17327 219.1
[M+Na-2H]- 396.13409 192.3
[M]+ 375.15887 189.8
[M]- 375.15997 189.8
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