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]+ 296.13936 166.1
[M+Na]+ 318.12130 175.1
[M-H]- 294.12480 173.0
[M+NH4]+ 313.16590 179.7
[M+K]+ 334.09524 170.7
[M+H-H2O]+ 278.12934 156.9
[M+HCOO]- 340.13028 184.7
[M+CH3COO]- 354.14593 177.5
[M+Na-2H]- 316.10675 168.5
[M]+ 295.13153 166.9
[M]- 295.13263 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

No patent data available for this compound.