CID 54717591

Schembl5011934

Structural Information

Molecular Formula
C18H19F2N3O4
SMILES
CC1=C(C(=C(C=C1)F)CNC(=O)C2=C(C(=O)N3CCOC(C3=N2)(C)C)O)F
InChI
InChI=1S/C18H19F2N3O4/c1-9-4-5-11(19)10(12(9)20)8-21-15(25)13-14(24)16(26)23-6-7-27-18(2,3)17(23)22-13/h4-5,24H,6-8H2,1-3H3,(H,21,25)
InChIKey
VITZVYPEHRLQBG-UHFFFAOYSA-N
Compound name
N-[(2,6-difluoro-3-methylphenyl)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

11
Patents

379.13437 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14165 188.6
[M+Na]+ 402.12359 199.1
[M-H]- 378.12709 191.3
[M+NH4]+ 397.16819 199.1
[M+K]+ 418.09753 195.1
[M+H-H2O]+ 362.13163 177.8
[M+HCOO]- 424.13257 202.1
[M+CH3COO]- 438.14822 221.6
[M+Na-2H]- 400.10904 190.2
[M]+ 379.13382 188.8
[M]- 379.13492 188.8
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