CID 54686299

Schembl2205451

Structural Information

Molecular Formula
C19H21FN4O4
SMILES
C1COCCC12C3=NC(=C(C(=O)N3CCN2)O)C(=O)NCC4=CC=C(C=C4)F
InChI
InChI=1S/C19H21FN4O4/c20-13-3-1-12(2-4-13)11-21-16(26)14-15(25)17(27)24-8-7-22-19(18(24)23-14)5-9-28-10-6-19/h1-4,22,25H,5-11H2,(H,21,26)
InChIKey
XDPJRHQJKXDMNU-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxospiro[7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-9,4'-oxane]-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

388.1547 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16198 191.1
[M+Na]+ 411.14392 196.7
[M-H]- 387.14742 192.6
[M+NH4]+ 406.18852 197.9
[M+K]+ 427.11786 191.7
[M+H-H2O]+ 371.15196 178.8
[M+HCOO]- 433.15290 199.4
[M+CH3COO]- 447.16855 197.4
[M+Na-2H]- 409.12937 194.5
[M]+ 388.15415 184.1
[M]- 388.15525 184.1
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.