CID 54686300

Schembl2206257

Structural Information

Molecular Formula
C20H23FN4O4
SMILES
CN1CCN2C(=O)C(=C(N=C2C13CCOCC3)C(=O)NCC4=CC=C(C=C4)F)O
InChI
InChI=1S/C20H23FN4O4/c1-24-8-9-25-18(28)16(26)15(23-19(25)20(24)6-10-29-11-7-20)17(27)22-12-13-2-4-14(21)5-3-13/h2-5,26H,6-12H2,1H3,(H,22,27)
InChIKey
ORADYDCVMCZZEP-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-3-hydroxy-8-methyl-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,4'-oxane]-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

402.17032 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.17760 196.5
[M+Na]+ 425.15954 203.0
[M-H]- 401.16304 199.5
[M+NH4]+ 420.20414 203.7
[M+K]+ 441.13348 198.5
[M+H-H2O]+ 385.16758 183.9
[M+HCOO]- 447.16852 205.9
[M+CH3COO]- 461.18417 203.3
[M+Na-2H]- 423.14499 198.9
[M]+ 402.16977 191.9
[M]- 402.17087 191.9
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