CID 472874

F4-etsh.

Structural Information

Molecular Formula
C21H24N4OS
SMILES
CCC1CCC(=NNC(=O)CC2=CSC3=NC(=CN23)C4=CC=CC=C4)CC1
InChI
InChI=1S/C21H24N4OS/c1-2-15-8-10-17(11-9-15)23-24-20(26)12-18-14-27-21-22-19(13-25(18)21)16-6-4-3-5-7-16/h3-7,13-15H,2,8-12H2,1H3,(H,24,26)
InChIKey
QXECWUGVSIYBBW-UHFFFAOYSA-N
Compound name
N-[(4-ethylcyclohexylidene)amino]-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

380.16708 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17436 190.0
[M+Na]+ 403.15630 196.5
[M-H]- 379.15980 199.5
[M+NH4]+ 398.20090 204.4
[M+K]+ 419.13024 190.8
[M+H-H2O]+ 363.16434 181.0
[M+HCOO]- 425.16528 207.8
[M+CH3COO]- 439.18093 199.8
[M+Na-2H]- 401.14175 188.6
[M]+ 380.16653 191.4
[M]- 380.16763 191.4
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.