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

36
References

16
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

literature stripe

Patent stripe

patents stripe