CID 59286554

Bms-933043

Structural Information

Molecular Formula
C16H19N7O
SMILES
C1CN2CCC1[C@@]3(C2)CN=C(O3)NC4=CC(=NC=N4)N5C=CN=C5
InChI
InChI=1S/C16H19N7O/c1-4-22-5-2-12(1)16(9-22)8-18-15(24-16)21-13-7-14(20-10-19-13)23-6-3-17-11-23/h3,6-7,10-12H,1-2,4-5,8-9H2,(H,18,19,20,21)/t16-/m0/s1
InChIKey
RLXBHTUZCPORKT-INIZCTEOSA-N
Compound name
(3R)-N-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

17
Patents

325.1651 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17238 159.6
[M+Na]+ 348.15432 165.2
[M-H]- 324.15782 159.1
[M+NH4]+ 343.19892 173.1
[M+K]+ 364.12826 161.7
[M+H-H2O]+ 308.16236 147.3
[M+HCOO]- 370.16330 167.2
[M+CH3COO]- 384.17895 167.5
[M+Na-2H]- 346.13977 167.3
[M]+ 325.16455 160.0
[M]- 325.16565 160.0
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