CID 3011082

Schembl4688350

Structural Information

Molecular Formula
C16H15F2N3O3
SMILES
CNC(=O)C1=CN2CCN(C(=O)C2=C1O)CC3=CC(=C(C=C3)F)F
InChI
InChI=1S/C16H15F2N3O3/c1-19-15(23)10-8-20-4-5-21(16(24)13(20)14(10)22)7-9-2-3-11(17)12(18)6-9/h2-3,6,8,22H,4-5,7H2,1H3,(H,19,23)
InChIKey
YMLZIQMBYBGKBT-UHFFFAOYSA-N
Compound name
2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

335.10815 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11543 175.1
[M+Na]+ 358.09737 184.3
[M-H]- 334.10087 176.9
[M+NH4]+ 353.14197 188.3
[M+K]+ 374.07131 178.8
[M+H-H2O]+ 318.10541 165.2
[M+HCOO]- 380.10635 191.0
[M+CH3COO]- 394.12200 211.7
[M+Na-2H]- 356.08282 174.1
[M]+ 335.10760 172.6
[M]- 335.10870 172.6
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.