CID 6482673

Schembl5987695

Structural Information

Molecular Formula
C17H17N3O2
SMILES
C1CC(N(C1)C2=NC=CN=C2C3=CC4=CC=CC=C4O3)CO
InChI
InChI=1S/C17H17N3O2/c21-11-13-5-3-9-20(13)17-16(18-7-8-19-17)15-10-12-4-1-2-6-14(12)22-15/h1-2,4,6-8,10,13,21H,3,5,9,11H2
InChIKey
NRACMNXJTLKKRL-UHFFFAOYSA-N
Compound name
[1-[3-(1-benzofuran-2-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

295.13208 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.139356 166.1
[M+Na]+ 318.121298 175.1
[M-H]- 294.124804 173.0
[M+NH4]+ 313.165903 179.7
[M+K]+ 334.095238 170.7
[M+H-H2O]+ 278.129340 156.9
[M+HCOO]- 340.130281 184.7
[M+CH3COO]- 354.145931 177.5
[M+Na-2H]- 316.106746 168.5
[M]+ 295.13153142 166.9
[M]- 295.13262858 166.9
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