CID 9970357

Facinicline

Structural Information

Molecular Formula
C15H18N4O
SMILES
C1CN2CCC1[C@@H](C2)NC(=O)C3=NNC4=CC=CC=C43
InChI
InChI=1S/C15H18N4O/c20-15(14-11-3-1-2-4-12(11)17-18-14)16-13-9-19-7-5-10(13)6-8-19/h1-4,10,13H,5-9H2,(H,16,20)(H,17,18)/t13-/m1/s1
InChIKey
TXCYUSKWBHUVEP-CYBMUJFWSA-N
Compound name
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

1139
Patents

270.14807 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15535 152.8
[M+Na]+ 293.13729 157.1
[M-H]- 269.14079 148.6
[M+NH4]+ 288.18189 170.9
[M+K]+ 309.11123 152.3
[M+H-H2O]+ 253.14533 144.7
[M+HCOO]- 315.14627 161.6
[M+CH3COO]- 329.16192 161.1
[M+Na-2H]- 291.12274 163.0
[M]+ 270.14752 152.3
[M]- 270.14862 152.3
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