CID 472885

Fsp.

Structural Information

Molecular Formula
C18H18N4OS
SMILES
C1CCC(=NNC(=O)CC2=CSC3=NC(=CN23)C4=CC=CC=C4)C1
InChI
InChI=1S/C18H18N4OS/c23-17(21-20-14-8-4-5-9-14)10-15-12-24-18-19-16(11-22(15)18)13-6-2-1-3-7-13/h1-3,6-7,11-12H,4-5,8-10H2,(H,21,23)
InChIKey
KYMDHFPDEJPOIT-UHFFFAOYSA-N
Compound name
N-(cyclopentylideneamino)-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

338.12012 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12740 177.9
[M+Na]+ 361.10934 186.0
[M-H]- 337.11284 188.8
[M+NH4]+ 356.15394 195.9
[M+K]+ 377.08328 181.8
[M+H-H2O]+ 321.11738 170.2
[M+HCOO]- 383.11832 199.2
[M+CH3COO]- 397.13397 189.7
[M+Na-2H]- 359.09479 176.8
[M]+ 338.11957 180.7
[M]- 338.12067 180.7
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

No patent data available for this compound.