CID 156274257

Ine963

Structural Information

Molecular Formula
C19H26N6O2S
SMILES
CC(C)C1=NC(=C(C=C1)C2=CN=C3N2N=C(S3)N4CCC(CC4)(CN)O)OC
InChI
InChI=1S/C19H26N6O2S/c1-12(2)14-5-4-13(16(22-14)27-3)15-10-21-17-25(15)23-18(28-17)24-8-6-19(26,11-20)7-9-24/h4-5,10,12,26H,6-9,11,20H2,1-3H3
InChIKey
JYHSRMKXBAPFST-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-1-[5-(2-methoxy-6-propan-2-ylpyridin-3-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

402.1838 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.19108 191.6
[M+Na]+ 425.17302 202.6
[M+NH4]+ 420.21762 198.5
[M+K]+ 441.14696 197.7
[M-H]- 401.17652 194.2
[M+Na-2H]- 423.15847 197.5
[M]+ 402.18325 194.3
[M]- 402.18435 194.3
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