CID 46233635

Chembl599011

Structural Information

Molecular Formula
C18H24N4O2
SMILES
CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)C3=NN(C4=C3C=CC=C4O)C
InChI
InChI=1S/C18H24N4O2/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)16-14-7-4-8-15(23)17(14)22(2)20-16/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24)/t12-,13-/m0/s1
InChIKey
AJEBHUMZPBDLQF-STQMWFEESA-N
Compound name
7-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

328.1899 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19718 178.9
[M+Na]+ 351.17912 185.6
[M-H]- 327.18262 180.4
[M+NH4]+ 346.22372 192.4
[M+K]+ 367.15306 180.0
[M+H-H2O]+ 311.18716 169.8
[M+HCOO]- 373.18810 191.1
[M+CH3COO]- 387.20375 187.4
[M+Na-2H]- 349.16457 180.4
[M]+ 328.18935 176.4
[M]- 328.19045 176.4
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