CID 45921478

Chembl3763241

Structural Information

Molecular Formula
C14H12N4OS
SMILES
CC1=C(N2C=CSC2=N1)C(=O)N/N=C/C3=CC=CC=C3
InChI
InChI=1S/C14H12N4OS/c1-10-12(18-7-8-20-14(18)16-10)13(19)17-15-9-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,19)/b15-9+
InChIKey
GZNQKNNAJUIECW-OQLLNIDSSA-N
Compound name
N-[(E)-benzylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.07318 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08046 163.0
[M+Na]+ 307.06240 173.6
[M-H]- 283.06590 171.1
[M+NH4]+ 302.10700 181.9
[M+K]+ 323.03634 169.3
[M+H-H2O]+ 267.07044 155.3
[M+HCOO]- 329.07138 186.0
[M+CH3COO]- 343.08703 176.2
[M+Na-2H]- 305.04785 166.1
[M]+ 284.07263 168.3
[M]- 284.07373 168.3
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.