CID 103098266

1698278-54-4

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CC(C)(C)OC(=O)N1CCN2C=CC=C2C1C3=CC=NC=C3
InChI
InChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)20-12-11-19-10-4-5-14(19)15(20)13-6-8-18-9-7-13/h4-10,15H,11-12H2,1-3H3
InChIKey
YWSHFQWADVKSFA-UHFFFAOYSA-N
Compound name
tert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1634 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17068 171.3
[M+Na]+ 322.15262 183.2
[M+NH4]+ 317.19722 178.1
[M+K]+ 338.12656 179.3
[M-H]- 298.15612 172.7
[M+Na-2H]- 320.13807 176.9
[M]+ 299.16285 173.3
[M]- 299.16395 173.3
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.