CID 11243474

Kc8x636zze

Structural Information

Molecular Formula
C17H22N4O
SMILES
CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)C3=NNC4=CC=CC=C43
InChI
InChI=1S/C17H22N4O/c1-21-12-5-4-6-13(21)10-11(9-12)18-17(22)16-14-7-2-3-8-15(14)19-20-16/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,22)(H,19,20)/t11?,12-,13+
InChIKey
GHVQAOGYNZNTIA-YHWZYXNKSA-N
Compound name
N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1H-indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

298.17935 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18663 169.4
[M+Na]+ 321.16857 175.0
[M-H]- 297.17207 170.4
[M+NH4]+ 316.21317 183.7
[M+K]+ 337.14251 168.9
[M+H-H2O]+ 281.17661 160.0
[M+HCOO]- 343.17755 182.0
[M+CH3COO]- 357.19320 178.0
[M+Na-2H]- 319.15402 172.9
[M]+ 298.17880 164.4
[M]- 298.17990 164.4
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