CID 54717454

Schembl13917436

Structural Information

Molecular Formula
C23H27FN4O5
SMILES
CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=C(C=C(C=C3)F)N4CCCCCC4=O)C
InChI
InChI=1S/C23H27FN4O5/c1-23(2)22-26-18(19(30)21(32)28(22)10-11-33-23)20(31)25-13-14-7-8-15(24)12-16(14)27-9-5-3-4-6-17(27)29/h7-8,12,30H,3-6,9-11,13H2,1-2H3,(H,25,31)
InChIKey
VUEDNQICJNZDDG-UHFFFAOYSA-N
Compound name
N-[[4-fluoro-2-(2-oxoazepan-1-yl)phenyl]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

458.19653 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.20381 210.7
[M+Na]+ 481.18575 216.3
[M-H]- 457.18925 216.3
[M+NH4]+ 476.23035 215.3
[M+K]+ 497.15969 217.2
[M+H-H2O]+ 441.19379 197.8
[M+HCOO]- 503.19473 219.6
[M+CH3COO]- 517.21038 234.1
[M+Na-2H]- 479.17120 209.7
[M]+ 458.19598 205.3
[M]- 458.19708 205.3
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

No patent data available for this compound.