CID 54717438

Schembl13917222

Structural Information

Molecular Formula
C17H18FN3O5
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=C(C=C(C=C3)F)O)C
InChI
InChI=1S/C17H18FN3O5/c1-17(2)16-20-12(13(23)15(25)21(16)5-6-26-17)14(24)19-8-9-3-4-10(18)7-11(9)22/h3-4,7,22-23H,5-6,8H2,1-2H3,(H,19,24)
InChIKey
BULZJWFGWGIQKB-UHFFFAOYSA-N
Compound name
N-[(4-fluoro-2-hydroxyphenyl)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

13
Patents

363.12305 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13033 183.5
[M+Na]+ 386.11227 192.8
[M-H]- 362.11577 186.1
[M+NH4]+ 381.15687 193.7
[M+K]+ 402.08621 189.5
[M+H-H2O]+ 346.12031 173.8
[M+HCOO]- 408.12125 197.2
[M+CH3COO]- 422.13690 214.9
[M+Na-2H]- 384.09772 186.9
[M]+ 363.12250 183.8
[M]- 363.12360 183.8
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