CID 3011071

Schembl4691973

Structural Information

Molecular Formula
C17H18FN3O3
SMILES
CCNC(=O)C1=CN2CCN(C(=O)C2=C1O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C17H18FN3O3/c1-2-19-16(23)13-10-20-7-8-21(17(24)14(20)15(13)22)9-11-3-5-12(18)6-4-11/h3-6,10,22H,2,7-9H2,1H3,(H,19,23)
InChIKey
ZBCKMBKVDZVXIW-UHFFFAOYSA-N
Compound name
N-ethyl-2-[(4-fluorophenyl)methyl]-8-hydroxy-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

331.1332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.140476 176.4
[M+Na]+ 354.122418 184.1
[M-H]- 330.125924 179.0
[M+NH4]+ 349.167023 189.6
[M+K]+ 370.096358 178.9
[M+H-H2O]+ 314.130460 167.0
[M+HCOO]- 376.131401 193.1
[M+CH3COO]- 390.147051 210.7
[M+Na-2H]- 352.107866 176.2
[M]+ 331.13265142 174.8
[M]- 331.13374858 174.8
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