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]+ 300.170676 173.8
[M+Na]+ 322.152618 180.6
[M-H]- 298.156124 177.2
[M+NH4]+ 317.197223 187.6
[M+K]+ 338.126558 176.9
[M+H-H2O]+ 282.160660 164.6
[M+HCOO]- 344.161601 188.8
[M+CH3COO]- 358.177251 202.1
[M+Na-2H]- 320.138066 176.7
[M]+ 299.16285142 173.7
[M]- 299.16394858 173.7
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.