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]+ 332.14048 176.4
[M+Na]+ 354.12242 184.1
[M-H]- 330.12592 179.0
[M+NH4]+ 349.16702 189.6
[M+K]+ 370.09636 178.9
[M+H-H2O]+ 314.13046 167.0
[M+HCOO]- 376.13140 193.1
[M+CH3COO]- 390.14705 210.7
[M+Na-2H]- 352.10787 176.2
[M]+ 331.13265 174.8
[M]- 331.13375 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