CID 9930121

Pha-543613

Structural Information

Molecular Formula
C15H17N3O2
SMILES
C1CN2CCC1[C@H](C2)NC(=O)C3=NC=C4C(=C3)C=CO4
InChI
InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1
InChIKey
IPKZCLGGYKRDES-ZDUSSCGKSA-N
Compound name
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

45
References

206
Patents

271.13208 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13936 151.0
[M+Na]+ 294.12130 155.7
[M-H]- 270.12480 150.0
[M+NH4]+ 289.16590 169.7
[M+K]+ 310.09524 153.2
[M+H-H2O]+ 254.12934 143.2
[M+HCOO]- 316.13028 161.7
[M+CH3COO]- 330.14593 160.6
[M+Na-2H]- 292.10675 161.8
[M]+ 271.13153 153.4
[M]- 271.13263 153.4
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.