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]+ 299.18663 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

No literature data available for this compound.

Patent stripe

patents stripe