CID 71785

Brl-46470

Structural Information

Molecular Formula
C19H27N3O
SMILES
CC1(CN(C2=CC=CC=C21)C(=O)NC3C[C@H]4CC[C@@H](C3)N4C)C
InChI
InChI=1S/C19H27N3O/c1-19(2)12-22(17-7-5-4-6-16(17)19)18(23)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,13-15H,8-12H2,1-3H3,(H,20,23)/t13?,14-,15+
InChIKey
ILXWRFDRNAKTDD-GOOCMWNKSA-N
Compound name
3,3-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2H-indole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

433
Patents

313.21542 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.22270 177.8
[M+Na]+ 336.20464 183.8
[M-H]- 312.20814 181.7
[M+NH4]+ 331.24924 197.8
[M+K]+ 352.17858 178.8
[M+H-H2O]+ 296.21268 170.1
[M+HCOO]- 358.21362 191.9
[M+CH3COO]- 372.22927 187.4
[M+Na-2H]- 334.19009 176.9
[M]+ 313.21487 174.7
[M]- 313.21597 174.7
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