CID 57910975

Jnj-40929837

Structural Information

Molecular Formula
C22H24N4O2S
SMILES
CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC3=CC=C(C=C3)OC4=NC5=C(S4)C=CC=N5
InChI
InChI=1S/C22H24N4O2S/c1-14(27)24-16-11-17-6-7-18(12-16)26(17)13-15-4-8-19(9-5-15)28-22-25-21-20(29-22)3-2-10-23-21/h2-5,8-10,16-18H,6-7,11-13H2,1H3,(H,24,27)/t16?,17-,18+
InChIKey
QZOOKXDESAXLGB-AYHJJNSGSA-N
Compound name
N-[(1R,5S)-8-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

27
Patents

408.162 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16928 193.7
[M+Na]+ 431.15122 205.8
[M+NH4]+ 426.19582 201.8
[M+K]+ 447.12516 199.9
[M-H]- 407.15472 198.2
[M+Na-2H]- 429.13667 198.6
[M]+ 408.16145 197.0
[M]- 408.16255 197.0
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