CID 3011072

Schembl4692010

Structural Information

Molecular Formula
C18H18FN3O3
SMILES
C1CC1NC(=O)C2=CN3CCN(C(=O)C3=C2O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C18H18FN3O3/c19-12-3-1-11(2-4-12)9-22-8-7-21-10-14(16(23)15(21)18(22)25)17(24)20-13-5-6-13/h1-4,10,13,23H,5-9H2,(H,20,24)
InChIKey
CHGSIURIFLFXAG-UHFFFAOYSA-N
Compound name
N-cyclopropyl-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

5
Patents

343.1332 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14048 178.5
[M+Na]+ 366.12242 187.6
[M-H]- 342.12592 184.5
[M+NH4]+ 361.16702 186.3
[M+K]+ 382.09636 180.3
[M+H-H2O]+ 326.13046 169.5
[M+HCOO]- 388.13140 195.3
[M+CH3COO]- 402.14705 187.7
[M+Na-2H]- 364.10787 178.1
[M]+ 343.13265 178.5
[M]- 343.13375 178.5
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