CID 58438464

Pf-5190457

Structural Information

Molecular Formula
C29H32N6OS
SMILES
CC1=CC(=NC=N1)C2=CC3=C(C=C2)[C@@H](CC3)N4CC5(C4)CCN(CC5)C(=O)CC6=CN7C=C(SC7=N6)C
InChI
InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1
InChIKey
ZIUDADZJCKGWKR-AREMUKBSSA-N
Compound name
2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

39
Patents

512.23584 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.24312 209.7
[M+Na]+ 535.22506 219.5
[M+NH4]+ 530.26966 214.4
[M+K]+ 551.19900 215.5
[M-H]- 511.22856 213.1
[M+Na-2H]- 533.21051 214.9
[M]+ 512.23529 211.6
[M]- 512.23639 211.6
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