CID 472869

F3-mel.

Structural Information

Molecular Formula
C23H26N4O2S2
SMILES
CC1CCCC2(C1)N(C(=O)C(S2)C)NC(=O)CC3=CSC4=NC(=CN34)C5=CC=CC=C5
InChI
InChI=1S/C23H26N4O2S2/c1-15-7-6-10-23(12-15)27(21(29)16(2)31-23)25-20(28)11-18-14-30-22-24-19(13-26(18)22)17-8-4-3-5-9-17/h3-5,8-9,13-16H,6-7,10-12H2,1-2H3,(H,25,28)
InChIKey
CFNQVCPEXVODRE-UHFFFAOYSA-N
Compound name
N-(2,7-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

454.14972 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.15700 205.1
[M+Na]+ 477.13894 214.4
[M-H]- 453.14244 215.0
[M+NH4]+ 472.18354 219.9
[M+K]+ 493.11288 208.6
[M+H-H2O]+ 437.14698 199.7
[M+HCOO]- 499.14792 213.8
[M+CH3COO]- 513.16357 214.0
[M+Na-2H]- 475.12439 199.6
[M]+ 454.14917 208.0
[M]- 454.15027 208.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.