CID 472880

L000979

Structural Information

Molecular Formula
C19H20N4OS
SMILES
C1CCC(=NNC(=O)CC2=CSC3=NC(=CN23)C4=CC=CC=C4)CC1
InChI
InChI=1S/C19H20N4OS/c24-18(22-21-15-9-5-2-6-10-15)11-16-13-25-19-20-17(12-23(16)19)14-7-3-1-4-8-14/h1,3-4,7-8,12-13H,2,5-6,9-11H2,(H,22,24)
InChIKey
GESPGFCPKDFPAS-UHFFFAOYSA-N
Compound name
N-(cyclohexylideneamino)-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

352.13577 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14305 180.5
[M+Na]+ 375.12499 187.2
[M-H]- 351.12849 190.1
[M+NH4]+ 370.16959 195.8
[M+K]+ 391.09893 181.9
[M+H-H2O]+ 335.13303 171.6
[M+HCOO]- 397.13397 199.1
[M+CH3COO]- 411.14962 191.0
[M+Na-2H]- 373.11044 180.8
[M]+ 352.13522 180.9
[M]- 352.13632 180.9
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.