CID 876516

Cbmicro_035700

Structural Information

Molecular Formula
C13H16N4OS
SMILES
CC1=C(N2C=CSC2=N1)C(=O)NN=C3CCCCC3
InChI
InChI=1S/C13H16N4OS/c1-9-11(17-7-8-19-13(17)14-9)12(18)16-15-10-5-3-2-4-6-10/h7-8H,2-6H2,1H3,(H,16,18)
InChIKey
IUDCEPHPBSPKRW-UHFFFAOYSA-N
Compound name
N-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.1045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11178 161.4
[M+Na]+ 299.09372 169.3
[M-H]- 275.09722 168.3
[M+NH4]+ 294.13832 180.3
[M+K]+ 315.06766 165.9
[M+H-H2O]+ 259.10176 153.8
[M+HCOO]- 321.10270 180.4
[M+CH3COO]- 335.11835 173.4
[M+Na-2H]- 297.07917 162.2
[M]+ 276.10395 162.2
[M]- 276.10505 162.2
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.