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
2
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]+ 329.197176 178.9
[M+Na]+ 351.179118 185.6
[M-H]- 327.182624 180.4
[M+NH4]+ 346.223723 192.4
[M+K]+ 367.153058 180.0
[M+H-H2O]+ 311.187160 169.8
[M+HCOO]- 373.188101 191.1
[M+CH3COO]- 387.203751 187.4
[M+Na-2H]- 349.164566 180.4
[M]+ 328.18935142 176.4
[M]- 328.19044858 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.