CID 54717461

Schembl13917237

Structural Information

Molecular Formula
C17H19FN4O4
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=C(C=C(C=C3)F)N)C
InChI
InChI=1S/C17H19FN4O4/c1-17(2)16-21-12(13(23)15(25)22(16)5-6-26-17)14(24)20-8-9-3-4-10(18)7-11(9)19/h3-4,7,23H,5-6,8,19H2,1-2H3,(H,20,24)
InChIKey
MOMNQHXVAULAJO-UHFFFAOYSA-N
Compound name
N-[(2-amino-4-fluorophenyl)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

362.13904 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14632 185.4
[M+Na]+ 385.12826 194.5
[M-H]- 361.13176 188.8
[M+NH4]+ 380.17286 195.8
[M+K]+ 401.10220 191.0
[M+H-H2O]+ 345.13630 175.4
[M+HCOO]- 407.13724 200.8
[M+CH3COO]- 421.15289 219.6
[M+Na-2H]- 383.11371 188.5
[M]+ 362.13849 184.4
[M]- 362.13959 184.4
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