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
2
Annotation Hits

45
References

276
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

literature stripe

Patent stripe

patents stripe