CID 9948205

141136-01-8

Structural Information

Molecular Formula
C17H22N4O
SMILES
CN1C2=CC=CC=C2C(=N1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4
InChI
InChI=1S/C17H22N4O/c1-21-15-8-3-2-7-14(15)16(20-21)17(22)19-13-9-11-5-4-6-12(10-13)18-11/h2-3,7-8,11-13,18H,4-6,9-10H2,1H3,(H,19,22)/t11-,12+,13?
InChIKey
VIGVTDRZHFWDBM-FUNVUKJBSA-N
Compound name
N-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-1-methylindazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

298.17935 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.186626 169.4
[M+Na]+ 321.168568 175.0
[M-H]- 297.172074 170.4
[M+NH4]+ 316.213173 183.7
[M+K]+ 337.142508 168.9
[M+H-H2O]+ 281.176610 160.0
[M+HCOO]- 343.177551 182.0
[M+CH3COO]- 357.193201 178.0
[M+Na-2H]- 319.154016 172.9
[M]+ 298.17880142 164.4
[M]- 298.17989858 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

No literature data available for this compound.

Patent stripe

patents stripe