CID 5311254

1-methyl-n-[(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1h-indazole-3-carboxamide

Structural Information

Molecular Formula
C17H22N4O
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C
InChI
InChI=1S/C17H22N4O/c1-20-12-7-8-13(20)10-11(9-12)18-17(22)16-14-5-3-4-6-15(14)21(2)19-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,22)/t11?,12-,13+
InChIKey
DDHAJFBBJWHSBR-YHWZYXNKSA-N
Compound name
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

29
Patents

298.17935 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18663 171.0
[M+Na]+ 321.16857 178.7
[M-H]- 297.17207 174.5
[M+NH4]+ 316.21317 188.3
[M+K]+ 337.14251 173.8
[M+H-H2O]+ 281.17661 162.5
[M+HCOO]- 343.17755 187.4
[M+CH3COO]- 357.19320 181.3
[M+Na-2H]- 319.15402 172.0
[M]+ 298.17880 170.5
[M]- 298.17990 170.5
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

No patent data available for this compound.