CID 135516793

Ns00117211

Structural Information

Molecular Formula
C18H24N4O2
SMILES
CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)C3=NN(C4=C3C(=CC=C4)O)C
InChI
InChI=1S/C18H24N4O2/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)17-16-14(22(2)20-17)7-4-8-15(16)23/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24)/t11?,12-,13+
InChIKey
CGNLROWYSDSBMN-YHWZYXNKSA-N
Compound name
4-hydroxy-1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No patent data available for this compound.